id	sid	tid	token	lemma	pos
cord-351222-9bfchw4u	1	1	key	key	JJ
cord-351222-9bfchw4u	2	1	:	:	:
cord-351222-9bfchw4u	2	2	cord-351222	cord-351222	NNP
cord-351222-9bfchw4u	2	3	-	-	HYPH
cord-351222-9bfchw4u	2	4	9bfchw4u	9bfchw4u	CD
cord-351222-9bfchw4u	2	5	authors	author	NNS
cord-351222-9bfchw4u	2	6	:	:	:
cord-351222-9bfchw4u	3	1	Rollinger	Rollinger	NNP
cord-351222-9bfchw4u	3	2	,	,	,
cord-351222-9bfchw4u	3	3	Judith	Judith	NNP
cord-351222-9bfchw4u	3	4	M.	M.	NNP
cord-351222-9bfchw4u	3	5	;	;	:
cord-351222-9bfchw4u	3	6	Stuppner	Stuppner	NNP
cord-351222-9bfchw4u	3	7	,	,	,
cord-351222-9bfchw4u	3	8	Hermann	Hermann	NNP
cord-351222-9bfchw4u	3	9	;	;	:
cord-351222-9bfchw4u	3	10	Langer	Langer	NNP
cord-351222-9bfchw4u	3	11	,	,	,
cord-351222-9bfchw4u	3	12	Thierry	Thierry	NNP
cord-351222-9bfchw4u	3	13	title	title	NN
cord-351222-9bfchw4u	3	14	:	:	:
cord-351222-9bfchw4u	3	15	Virtual	virtual	JJ
cord-351222-9bfchw4u	3	16	screening	screening	NN
cord-351222-9bfchw4u	3	17	for	for	IN
cord-351222-9bfchw4u	3	18	the	the	DT
cord-351222-9bfchw4u	3	19	discovery	discovery	NN
cord-351222-9bfchw4u	3	20	of	of	IN
cord-351222-9bfchw4u	3	21	bioactive	bioactive	JJ
cord-351222-9bfchw4u	3	22	natural	natural	JJ
cord-351222-9bfchw4u	3	23	products	product	NNS
cord-351222-9bfchw4u	3	24	date	date	NN
cord-351222-9bfchw4u	3	25	:	:	:
cord-351222-9bfchw4u	3	26	2008	2008	CD
cord-351222-9bfchw4u	3	27	journal	journal	NN
cord-351222-9bfchw4u	3	28	:	:	:
cord-351222-9bfchw4u	3	29	Natural	Natural	NNP
cord-351222-9bfchw4u	3	30	Compounds	Compounds	NNPS
cord-351222-9bfchw4u	3	31	as	as	IN
cord-351222-9bfchw4u	3	32	Drugs	drug	NNS
cord-351222-9bfchw4u	4	1	Volume	volume	NN
cord-351222-9bfchw4u	5	1	I	-PRON-	PRP
cord-351222-9bfchw4u	6	1	DOI	DOI	NNP
cord-351222-9bfchw4u	7	1	:	:	:
cord-351222-9bfchw4u	7	2	10.1007/978	10.1007/978	LS
cord-351222-9bfchw4u	7	3	-	-	HYPH
cord-351222-9bfchw4u	7	4	3	3	CD
cord-351222-9bfchw4u	7	5	-	-	HYPH
cord-351222-9bfchw4u	7	6	7643	7643	CD
cord-351222-9bfchw4u	7	7	-	-	HYPH
cord-351222-9bfchw4u	7	8	8117	8117	CD
cord-351222-9bfchw4u	7	9	-	-	SYM
cord-351222-9bfchw4u	7	10	2_6	2_6	CD
cord-351222-9bfchw4u	7	11	sha	sha	NNP
cord-351222-9bfchw4u	7	12	:	:	:
cord-351222-9bfchw4u	7	13	c4724d019bada53cb5c38ce16782a11cbb4bc312	c4724d019bada53cb5c38ce16782a11cbb4bc312	NNP
cord-351222-9bfchw4u	7	14	doc_id	doc_id	CD
cord-351222-9bfchw4u	7	15	:	:	:
cord-351222-9bfchw4u	8	1	351222	351222	CD
cord-351222-9bfchw4u	8	2	cord_uid	cord_uid	NN
cord-351222-9bfchw4u	8	3	:	:	:
cord-351222-9bfchw4u	8	4	9bfchw4u	9bfchw4u	.
cord-351222-9bfchw4u	9	1	In	in	IN
cord-351222-9bfchw4u	9	2	this	this	DT
cord-351222-9bfchw4u	9	3	survey	survey	NN
cord-351222-9bfchw4u	9	4	the	the	DT
cord-351222-9bfchw4u	9	5	impact	impact	NN
cord-351222-9bfchw4u	9	6	of	of	IN
cord-351222-9bfchw4u	9	7	the	the	DT
cord-351222-9bfchw4u	9	8	virtual	virtual	JJ
cord-351222-9bfchw4u	9	9	screening	screening	NN
cord-351222-9bfchw4u	9	10	concept	concept	NN
cord-351222-9bfchw4u	9	11	is	be	VBZ
cord-351222-9bfchw4u	9	12	discussed	discuss	VBN
cord-351222-9bfchw4u	9	13	in	in	IN
cord-351222-9bfchw4u	9	14	the	the	DT
cord-351222-9bfchw4u	9	15	field	field	NN
cord-351222-9bfchw4u	9	16	of	of	IN
cord-351222-9bfchw4u	9	17	drug	drug	NN
cord-351222-9bfchw4u	9	18	discovery	discovery	NN
cord-351222-9bfchw4u	9	19	from	from	IN
cord-351222-9bfchw4u	9	20	nature	nature	NN
cord-351222-9bfchw4u	9	21	.	.	.
cord-351222-9bfchw4u	10	1	Confronted	confront	VBN
cord-351222-9bfchw4u	10	2	by	by	IN
cord-351222-9bfchw4u	10	3	a	a	DT
cord-351222-9bfchw4u	10	4	steadily	steadily	RB
cord-351222-9bfchw4u	10	5	increasing	increase	VBG
cord-351222-9bfchw4u	10	6	number	number	NN
cord-351222-9bfchw4u	10	7	of	of	IN
cord-351222-9bfchw4u	10	8	secondary	secondary	JJ
cord-351222-9bfchw4u	10	9	metabolites	metabolite	NNS
cord-351222-9bfchw4u	10	10	and	and	CC
cord-351222-9bfchw4u	10	11	a	a	DT
cord-351222-9bfchw4u	10	12	growing	grow	VBG
cord-351222-9bfchw4u	10	13	number	number	NN
cord-351222-9bfchw4u	10	14	of	of	IN
cord-351222-9bfchw4u	10	15	molecular	molecular	JJ
cord-351222-9bfchw4u	10	16	targets	target	NNS
cord-351222-9bfchw4u	10	17	relevant	relevant	JJ
cord-351222-9bfchw4u	10	18	in	in	IN
cord-351222-9bfchw4u	10	19	the	the	DT
cord-351222-9bfchw4u	10	20	therapy	therapy	NN
cord-351222-9bfchw4u	10	21	of	of	IN
cord-351222-9bfchw4u	10	22	human	human	JJ
cord-351222-9bfchw4u	10	23	disorders	disorder	NNS
cord-351222-9bfchw4u	10	24	,	,	,
cord-351222-9bfchw4u	10	25	the	the	DT
cord-351222-9bfchw4u	10	26	huge	huge	JJ
cord-351222-9bfchw4u	10	27	amount	amount	NN
cord-351222-9bfchw4u	10	28	of	of	IN
cord-351222-9bfchw4u	10	29	information	information	NN
cord-351222-9bfchw4u	10	30	needs	need	VBZ
cord-351222-9bfchw4u	10	31	to	to	TO
cord-351222-9bfchw4u	10	32	be	be	VB
cord-351222-9bfchw4u	10	33	handled	handle	VBN
cord-351222-9bfchw4u	10	34	.	.	.
cord-351222-9bfchw4u	11	1	Virtual	virtual	JJ
cord-351222-9bfchw4u	11	2	screening	screening	NN
cord-351222-9bfchw4u	11	3	filtering	filter	VBG
cord-351222-9bfchw4u	11	4	experiments	experiment	NNS
cord-351222-9bfchw4u	11	5	already	already	RB
cord-351222-9bfchw4u	11	6	showed	show	VBD
cord-351222-9bfchw4u	11	7	great	great	JJ
cord-351222-9bfchw4u	11	8	promise	promise	NN
cord-351222-9bfchw4u	11	9	for	for	IN
cord-351222-9bfchw4u	11	10	dealing	deal	VBG
cord-351222-9bfchw4u	11	11	with	with	IN
cord-351222-9bfchw4u	11	12	large	large	JJ
cord-351222-9bfchw4u	11	13	libraries	library	NNS
cord-351222-9bfchw4u	11	14	of	of	IN
cord-351222-9bfchw4u	11	15	potential	potential	JJ
cord-351222-9bfchw4u	11	16	bioactive	bioactive	JJ
cord-351222-9bfchw4u	11	17	molecules	molecule	NNS
cord-351222-9bfchw4u	11	18	.	.	.
cord-351222-9bfchw4u	12	1	It	-PRON-	PRP
cord-351222-9bfchw4u	12	2	can	can	MD
cord-351222-9bfchw4u	12	3	be	be	VB
cord-351222-9bfchw4u	12	4	utilized	utilize	VBN
cord-351222-9bfchw4u	12	5	for	for	IN
cord-351222-9bfchw4u	12	6	browsing	browse	VBG
cord-351222-9bfchw4u	12	7	databases	database	NNS
cord-351222-9bfchw4u	12	8	for	for	IN
cord-351222-9bfchw4u	12	9	molecules	molecule	NNS
cord-351222-9bfchw4u	12	10	fitting	fit	VBG
cord-351222-9bfchw4u	12	11	either	either	CC
cord-351222-9bfchw4u	12	12	an	an	DT
cord-351222-9bfchw4u	12	13	established	establish	VBN
cord-351222-9bfchw4u	12	14	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	12	15	model	model	NN
cord-351222-9bfchw4u	12	16	or	or	CC
cord-351222-9bfchw4u	12	17	a	a	DT
cord-351222-9bfchw4u	12	18	three	three	CD
cord-351222-9bfchw4u	12	19	dimensional	dimensional	JJ
cord-351222-9bfchw4u	12	20	(	(	-LRB-
cord-351222-9bfchw4u	12	21	3D	3D	NNP
cord-351222-9bfchw4u	12	22	)	)	-RRB-
cord-351222-9bfchw4u	12	23	structure	structure	NN
cord-351222-9bfchw4u	12	24	of	of	IN
cord-351222-9bfchw4u	12	25	a	a	DT
cord-351222-9bfchw4u	12	26	macromolecular	macromolecular	JJ
cord-351222-9bfchw4u	12	27	target	target	NN
cord-351222-9bfchw4u	12	28	.	.	.
cord-351222-9bfchw4u	13	1	However	however	RB
cord-351222-9bfchw4u	13	2	,	,	,
cord-351222-9bfchw4u	13	3	for	for	IN
cord-351222-9bfchw4u	13	4	the	the	DT
cord-351222-9bfchw4u	13	5	discovery	discovery	NN
cord-351222-9bfchw4u	13	6	of	of	IN
cord-351222-9bfchw4u	13	7	natural	natural	JJ
cord-351222-9bfchw4u	13	8	lead	lead	NN
cord-351222-9bfchw4u	13	9	candidates	candidate	NNS
cord-351222-9bfchw4u	13	10	the	the	DT
cord-351222-9bfchw4u	13	11	application	application	NN
cord-351222-9bfchw4u	13	12	of	of	IN
cord-351222-9bfchw4u	13	13	this	this	DT
cord-351222-9bfchw4u	13	14	in	in	IN
cord-351222-9bfchw4u	13	15	silico	silico	NN
cord-351222-9bfchw4u	13	16	tool	tool	NN
cord-351222-9bfchw4u	13	17	has	have	VBZ
cord-351222-9bfchw4u	13	18	so	so	RB
cord-351222-9bfchw4u	13	19	far	far	RB
cord-351222-9bfchw4u	13	20	almost	almost	RB
cord-351222-9bfchw4u	13	21	been	be	VBN
cord-351222-9bfchw4u	13	22	neglected	neglect	VBN
cord-351222-9bfchw4u	13	23	.	.	.
cord-351222-9bfchw4u	14	1	There	there	EX
cord-351222-9bfchw4u	14	2	are	be	VBP
cord-351222-9bfchw4u	14	3	several	several	JJ
cord-351222-9bfchw4u	14	4	reasons	reason	NNS
cord-351222-9bfchw4u	14	5	for	for	IN
cord-351222-9bfchw4u	14	6	that	that	DT
cord-351222-9bfchw4u	14	7	.	.	.
cord-351222-9bfchw4u	15	1	One	one	CD
cord-351222-9bfchw4u	15	2	concerns	concern	VBZ
cord-351222-9bfchw4u	15	3	the	the	DT
cord-351222-9bfchw4u	15	4	scarce	scarce	JJ
cord-351222-9bfchw4u	15	5	availability	availability	NN
cord-351222-9bfchw4u	15	6	of	of	IN
cord-351222-9bfchw4u	15	7	natural	natural	JJ
cord-351222-9bfchw4u	15	8	product	product	NN
cord-351222-9bfchw4u	15	9	(	(	-LRB-
cord-351222-9bfchw4u	15	10	NP	NP	NNP
cord-351222-9bfchw4u	15	11	)	)	-RRB-
cord-351222-9bfchw4u	15	12	3D	3d	NN
cord-351222-9bfchw4u	15	13	databases	database	NNS
cord-351222-9bfchw4u	15	14	in	in	IN
cord-351222-9bfchw4u	15	15	contrast	contrast	NN
cord-351222-9bfchw4u	15	16	to	to	IN
cord-351222-9bfchw4u	15	17	synthetic	synthetic	JJ
cord-351222-9bfchw4u	15	18	libraries	library	NNS
cord-351222-9bfchw4u	15	19	;	;	:
cord-351222-9bfchw4u	15	20	another	another	DT
cord-351222-9bfchw4u	15	21	reason	reason	NN
cord-351222-9bfchw4u	15	22	is	be	VBZ
cord-351222-9bfchw4u	15	23	the	the	DT
cord-351222-9bfchw4u	15	24	problematic	problematic	JJ
cord-351222-9bfchw4u	15	25	compatibility	compatibility	NN
cord-351222-9bfchw4u	15	26	of	of	IN
cord-351222-9bfchw4u	15	27	NPs	NPs	NNPS
cord-351222-9bfchw4u	15	28	with	with	IN
cord-351222-9bfchw4u	15	29	modern	modern	JJ
cord-351222-9bfchw4u	15	30	robotized	robotized	JJ
cord-351222-9bfchw4u	15	31	high	high	JJ
cord-351222-9bfchw4u	15	32	throughput	throughput	NN
cord-351222-9bfchw4u	15	33	screening	screening	NN
cord-351222-9bfchw4u	15	34	(	(	-LRB-
cord-351222-9bfchw4u	15	35	HTS	HTS	NNP
cord-351222-9bfchw4u	15	36	)	)	-RRB-
cord-351222-9bfchw4u	15	37	technologies	technology	NNS
cord-351222-9bfchw4u	15	38	.	.	.
cord-351222-9bfchw4u	16	1	Further	further	JJ
cord-351222-9bfchw4u	16	2	arguments	argument	NNS
cord-351222-9bfchw4u	16	3	deal	deal	VBP
cord-351222-9bfchw4u	16	4	with	with	IN
cord-351222-9bfchw4u	16	5	the	the	DT
cord-351222-9bfchw4u	16	6	incalculable	incalculable	JJ
cord-351222-9bfchw4u	16	7	availability	availability	NN
cord-351222-9bfchw4u	16	8	of	of	IN
cord-351222-9bfchw4u	16	9	pure	pure	JJ
cord-351222-9bfchw4u	16	10	natural	natural	JJ
cord-351222-9bfchw4u	16	11	compounds	compound	NNS
cord-351222-9bfchw4u	16	12	and	and	CC
cord-351222-9bfchw4u	16	13	their	-PRON-	PRP$
cord-351222-9bfchw4u	16	14	often	often	RB
cord-351222-9bfchw4u	16	15	too	too	RB
cord-351222-9bfchw4u	16	16	complex	complex	JJ
cord-351222-9bfchw4u	16	17	chemistry	chemistry	NN
cord-351222-9bfchw4u	16	18	.	.	.
cord-351222-9bfchw4u	17	1	Thus	thus	RB
cord-351222-9bfchw4u	17	2	research	research	NN
cord-351222-9bfchw4u	17	3	in	in	IN
cord-351222-9bfchw4u	17	4	this	this	DT
cord-351222-9bfchw4u	17	5	field	field	NN
cord-351222-9bfchw4u	17	6	is	be	VBZ
cord-351222-9bfchw4u	17	7	time	time	NN
cord-351222-9bfchw4u	17	8	-	-	HYPH
cord-351222-9bfchw4u	17	9	consuming	consume	VBG
cord-351222-9bfchw4u	17	10	,	,	,
cord-351222-9bfchw4u	17	11	highly	highly	RB
cord-351222-9bfchw4u	17	12	complex	complex	JJ
cord-351222-9bfchw4u	17	13	,	,	,
cord-351222-9bfchw4u	17	14	expensive	expensive	JJ
cord-351222-9bfchw4u	17	15	and	and	CC
cord-351222-9bfchw4u	17	16	ineffective	ineffective	JJ
cord-351222-9bfchw4u	17	17	.	.	.
cord-351222-9bfchw4u	18	1	Nevertheless	nevertheless	RB
cord-351222-9bfchw4u	18	2	,	,	,
cord-351222-9bfchw4u	18	3	naturally	naturally	RB
cord-351222-9bfchw4u	18	4	derived	derive	VBN
cord-351222-9bfchw4u	18	5	compounds	compound	NNS
cord-351222-9bfchw4u	18	6	are	be	VBP
cord-351222-9bfchw4u	18	7	among	among	IN
cord-351222-9bfchw4u	18	8	the	the	DT
cord-351222-9bfchw4u	18	9	most	most	RBS
cord-351222-9bfchw4u	18	10	favorable	favorable	JJ
cord-351222-9bfchw4u	18	11	source	source	NN
cord-351222-9bfchw4u	18	12	of	of	IN
cord-351222-9bfchw4u	18	13	drug	drug	NN
cord-351222-9bfchw4u	18	14	candidates	candidate	NNS
cord-351222-9bfchw4u	18	15	.	.	.
cord-351222-9bfchw4u	19	1	A	a	DT
cord-351222-9bfchw4u	19	2	more	more	RBR
cord-351222-9bfchw4u	19	3	rational	rational	JJ
cord-351222-9bfchw4u	19	4	and	and	CC
cord-351222-9bfchw4u	19	5	economic	economic	JJ
cord-351222-9bfchw4u	19	6	search	search	NN
cord-351222-9bfchw4u	19	7	for	for	IN
cord-351222-9bfchw4u	19	8	new	new	JJ
cord-351222-9bfchw4u	19	9	lead	lead	JJ
cord-351222-9bfchw4u	19	10	structures	structure	NNS
cord-351222-9bfchw4u	19	11	from	from	IN
cord-351222-9bfchw4u	19	12	nature	nature	NN
cord-351222-9bfchw4u	19	13	must	must	MD
cord-351222-9bfchw4u	19	14	therefore	therefore	RB
cord-351222-9bfchw4u	19	15	be	be	VB
cord-351222-9bfchw4u	19	16	a	a	DT
cord-351222-9bfchw4u	19	17	priority	priority	NN
cord-351222-9bfchw4u	19	18	in	in	IN
cord-351222-9bfchw4u	19	19	order	order	NN
cord-351222-9bfchw4u	19	20	to	to	TO
cord-351222-9bfchw4u	19	21	overcome	overcome	VB
cord-351222-9bfchw4u	19	22	these	these	DT
cord-351222-9bfchw4u	19	23	problems	problem	NNS
cord-351222-9bfchw4u	19	24	.	.	.
cord-351222-9bfchw4u	20	1	Here	here	RB
cord-351222-9bfchw4u	20	2	we	-PRON-	PRP
cord-351222-9bfchw4u	20	3	demonstrate	demonstrate	VBP
cord-351222-9bfchw4u	20	4	some	some	DT
cord-351222-9bfchw4u	20	5	basic	basic	JJ
cord-351222-9bfchw4u	20	6	principles	principle	NNS
cord-351222-9bfchw4u	20	7	,	,	,
cord-351222-9bfchw4u	20	8	requirements	requirement	NNS
cord-351222-9bfchw4u	20	9	and	and	CC
cord-351222-9bfchw4u	20	10	limitations	limitation	NNS
cord-351222-9bfchw4u	20	11	of	of	IN
cord-351222-9bfchw4u	20	12	virtual	virtual	JJ
cord-351222-9bfchw4u	20	13	screening	screening	NN
cord-351222-9bfchw4u	20	14	strategies	strategy	NNS
cord-351222-9bfchw4u	20	15	and	and	CC
cord-351222-9bfchw4u	20	16	support	support	VB
cord-351222-9bfchw4u	20	17	their	-PRON-	PRP$
cord-351222-9bfchw4u	20	18	applicability	applicability	NN
cord-351222-9bfchw4u	20	19	in	in	IN
cord-351222-9bfchw4u	20	20	NP	NP	NNP
cord-351222-9bfchw4u	20	21	research	research	NN
cord-351222-9bfchw4u	20	22	with	with	IN
cord-351222-9bfchw4u	20	23	already	already	RB
cord-351222-9bfchw4u	20	24	performed	perform	VBN
cord-351222-9bfchw4u	20	25	studies	study	NNS
cord-351222-9bfchw4u	20	26	.	.	.
cord-351222-9bfchw4u	21	1	A	a	DT
cord-351222-9bfchw4u	21	2	sensible	sensible	JJ
cord-351222-9bfchw4u	21	3	exploitation	exploitation	NN
cord-351222-9bfchw4u	21	4	of	of	IN
cord-351222-9bfchw4u	21	5	the	the	DT
cord-351222-9bfchw4u	21	6	molecular	molecular	JJ
cord-351222-9bfchw4u	21	7	diversity	diversity	NN
cord-351222-9bfchw4u	21	8	of	of	IN
cord-351222-9bfchw4u	21	9	secondary	secondary	JJ
cord-351222-9bfchw4u	21	10	metabolites	metabolite	NNS
cord-351222-9bfchw4u	21	11	however	however	RB
cord-351222-9bfchw4u	21	12	asks	ask	VBZ
cord-351222-9bfchw4u	21	13	for	for	IN
cord-351222-9bfchw4u	21	14	virtual	virtual	JJ
cord-351222-9bfchw4u	21	15	screening	screening	NN
cord-351222-9bfchw4u	21	16	concepts	concept	NNS
cord-351222-9bfchw4u	21	17	that	that	WDT
cord-351222-9bfchw4u	21	18	are	be	VBP
cord-351222-9bfchw4u	21	19	interfaced	interface	VBN
cord-351222-9bfchw4u	21	20	with	with	IN
cord-351222-9bfchw4u	21	21	well	well	RB
cord-351222-9bfchw4u	21	22	-	-	HYPH
cord-351222-9bfchw4u	21	23	established	establish	VBN
cord-351222-9bfchw4u	21	24	strategies	strategy	NNS
cord-351222-9bfchw4u	21	25	from	from	IN
cord-351222-9bfchw4u	21	26	classical	classical	JJ
cord-351222-9bfchw4u	21	27	pharmacognosy	pharmacognosy	NN
cord-351222-9bfchw4u	21	28	that	that	WDT
cord-351222-9bfchw4u	21	29	are	be	VBP
cord-351222-9bfchw4u	21	30	used	use	VBN
cord-351222-9bfchw4u	21	31	in	in	IN
cord-351222-9bfchw4u	21	32	an	an	DT
cord-351222-9bfchw4u	21	33	effort	effort	NN
cord-351222-9bfchw4u	21	34	to	to	TO
cord-351222-9bfchw4u	21	35	maximize	maximize	VB
cord-351222-9bfchw4u	21	36	their	-PRON-	PRP$
cord-351222-9bfchw4u	21	37	efficacy	efficacy	NN
cord-351222-9bfchw4u	21	38	in	in	IN
cord-351222-9bfchw4u	21	39	drug	drug	NN
cord-351222-9bfchw4u	21	40	discovery	discovery	NN
cord-351222-9bfchw4u	21	41	.	.	.
cord-351222-9bfchw4u	22	1	Such	such	JJ
cord-351222-9bfchw4u	22	2	integrated	integrate	VBN
cord-351222-9bfchw4u	22	3	virtual	virtual	JJ
cord-351222-9bfchw4u	22	4	screening	screening	NN
cord-351222-9bfchw4u	22	5	workflows	workflow	NNS
cord-351222-9bfchw4u	22	6	are	be	VBP
cord-351222-9bfchw4u	22	7	outlined	outline	VBN
cord-351222-9bfchw4u	22	8	here	here	RB
cord-351222-9bfchw4u	22	9	and	and	CC
cord-351222-9bfchw4u	22	10	shall	shall	MD
cord-351222-9bfchw4u	22	11	help	help	VB
cord-351222-9bfchw4u	22	12	to	to	TO
cord-351222-9bfchw4u	22	13	motivate	motivate	VB
cord-351222-9bfchw4u	22	14	NP	NP	NNP
cord-351222-9bfchw4u	22	15	researchers	researcher	NNS
cord-351222-9bfchw4u	22	16	to	to	TO
cord-351222-9bfchw4u	22	17	dare	dare	VB
cord-351222-9bfchw4u	22	18	a	a	DT
cord-351222-9bfchw4u	22	19	step	step	NN
cord-351222-9bfchw4u	22	20	towards	towards	IN
cord-351222-9bfchw4u	22	21	this	this	DT
cord-351222-9bfchw4u	22	22	powerful	powerful	JJ
cord-351222-9bfchw4u	22	23	in	in	IN
cord-351222-9bfchw4u	22	24	silico	silico	NN
cord-351222-9bfchw4u	22	25	tool	tool	NN
cord-351222-9bfchw4u	22	26	.	.	.
cord-351222-9bfchw4u	23	1	In	in	IN
cord-351222-9bfchw4u	23	2	the	the	DT
cord-351222-9bfchw4u	23	3	field	field	NN
cord-351222-9bfchw4u	23	4	of	of	IN
cord-351222-9bfchw4u	23	5	drug	drug	NN
cord-351222-9bfchw4u	23	6	discovery	discovery	NN
cord-351222-9bfchw4u	23	7	we	-PRON-	PRP
cord-351222-9bfchw4u	23	8	are	be	VBP
cord-351222-9bfchw4u	23	9	confronted	confront	VBN
cord-351222-9bfchw4u	23	10	by	by	IN
cord-351222-9bfchw4u	23	11	a	a	DT
cord-351222-9bfchw4u	23	12	paradox	paradox	NN
cord-351222-9bfchw4u	23	13	situation	situation	NN
cord-351222-9bfchw4u	23	14	:	:	:
cord-351222-9bfchw4u	23	15	highly	highly	RB
cord-351222-9bfchw4u	23	16	efficient	efficient	JJ
cord-351222-9bfchw4u	23	17	tools	tool	NNS
cord-351222-9bfchw4u	23	18	and	and	CC
cord-351222-9bfchw4u	23	19	advanced	advanced	JJ
cord-351222-9bfchw4u	23	20	technological	technological	JJ
cord-351222-9bfchw4u	23	21	and	and	CC
cord-351222-9bfchw4u	23	22	molecular	molecular	JJ
cord-351222-9bfchw4u	23	23	knowhow	knowhow	NN
cord-351222-9bfchw4u	23	24	,	,	,
cord-351222-9bfchw4u	23	25	e.g.	e.g.	RB
cord-351222-9bfchw4u	23	26	,	,	,
cord-351222-9bfchw4u	23	27	in	in	IN
cord-351222-9bfchw4u	23	28	the	the	DT
cord-351222-9bfchw4u	23	29	area	area	NN
cord-351222-9bfchw4u	23	30	of	of	IN
cord-351222-9bfchw4u	23	31	genomics	genomic	NNS
cord-351222-9bfchw4u	23	32	,	,	,
cord-351222-9bfchw4u	23	33	combinatorial	combinatorial	JJ
cord-351222-9bfchw4u	23	34	chemistry	chemistry	NN
cord-351222-9bfchw4u	23	35	,	,	,
cord-351222-9bfchw4u	23	36	high	high	JJ
cord-351222-9bfchw4u	23	37	throughput	throughput	NN
cord-351222-9bfchw4u	23	38	screening	screening	NN
cord-351222-9bfchw4u	23	39	(	(	-LRB-
cord-351222-9bfchw4u	23	40	HTS	HTS	NNP
cord-351222-9bfchw4u	23	41	)	)	-RRB-
cord-351222-9bfchw4u	23	42	,	,	,
cord-351222-9bfchw4u	23	43	robotized	robotize	VBN
cord-351222-9bfchw4u	23	44	and	and	CC
cord-351222-9bfchw4u	23	45	miniaturized	miniaturized	JJ
cord-351222-9bfchw4u	23	46	process	process	NN
cord-351222-9bfchw4u	23	47	cycles	cycle	NNS
cord-351222-9bfchw4u	23	48	,	,	,
cord-351222-9bfchw4u	23	49	could	could	MD
cord-351222-9bfchw4u	23	50	find	find	VB
cord-351222-9bfchw4u	23	51	entrance	entrance	NN
cord-351222-9bfchw4u	23	52	in	in	IN
cord-351222-9bfchw4u	23	53	big	big	JJ
cord-351222-9bfchw4u	23	54	pharmaceutical	pharmaceutical	JJ
cord-351222-9bfchw4u	23	55	industries	industry	NNS
cord-351222-9bfchw4u	23	56	.	.	.
cord-351222-9bfchw4u	24	1	These	these	DT
cord-351222-9bfchw4u	24	2	costly	costly	JJ
cord-351222-9bfchw4u	24	3	procedures	procedure	NNS
cord-351222-9bfchw4u	24	4	were	be	VBD
cord-351222-9bfchw4u	24	5	expected	expect	VBN
cord-351222-9bfchw4u	24	6	to	to	TO
cord-351222-9bfchw4u	24	7	raise	raise	VB
cord-351222-9bfchw4u	24	8	the	the	DT
cord-351222-9bfchw4u	24	9	number	number	NN
cord-351222-9bfchw4u	24	10	of	of	IN
cord-351222-9bfchw4u	24	11	launched	launch	VBN
cord-351222-9bfchw4u	24	12	drug	drug	NN
cord-351222-9bfchw4u	24	13	substances	substance	NNS
cord-351222-9bfchw4u	24	14	;	;	:
cord-351222-9bfchw4u	24	15	however	however	RB
cord-351222-9bfchw4u	24	16	the	the	DT
cord-351222-9bfchw4u	24	17	results	result	NNS
cord-351222-9bfchw4u	24	18	were	be	VBD
cord-351222-9bfchw4u	24	19	disappointing	disappointing	JJ
cord-351222-9bfchw4u	24	20	[	[	-LRB-
cord-351222-9bfchw4u	24	21	1	1	CD
cord-351222-9bfchw4u	24	22	,	,	,
cord-351222-9bfchw4u	24	23	2	2	CD
cord-351222-9bfchw4u	24	24	]	]	-RRB-
cord-351222-9bfchw4u	24	25	.	.	.
cord-351222-9bfchw4u	25	1	In	in	IN
cord-351222-9bfchw4u	25	2	2002	2002	CD
cord-351222-9bfchw4u	25	3	,	,	,
cord-351222-9bfchw4u	25	4	Adam	Adam	NNP
cord-351222-9bfchw4u	25	5	Smith	Smith	NNP
cord-351222-9bfchw4u	25	6	,	,	,
cord-351222-9bfchw4u	25	7	the	the	DT
cord-351222-9bfchw4u	25	8	chief	chief	JJ
cord-351222-9bfchw4u	25	9	-	-	HYPH
cord-351222-9bfchw4u	25	10	editor	editor	NN
cord-351222-9bfchw4u	25	11	of	of	IN
cord-351222-9bfchw4u	25	12	Nature	Nature	NNP
cord-351222-9bfchw4u	25	13	presented	present	VBD
cord-351222-9bfchw4u	25	14	the	the	DT
cord-351222-9bfchw4u	25	15	sobering	sobering	JJ
cord-351222-9bfchw4u	25	16	data	datum	NNS
cord-351222-9bfchw4u	25	17	of	of	IN
cord-351222-9bfchw4u	25	18	research	research	NN
cord-351222-9bfchw4u	25	19	and	and	CC
cord-351222-9bfchw4u	25	20	development	development	NN
cord-351222-9bfchw4u	25	21	expenses	expense	NNS
cord-351222-9bfchw4u	25	22	of	of	IN
cord-351222-9bfchw4u	25	23	the	the	DT
cord-351222-9bfchw4u	25	24	20	20	CD
cord-351222-9bfchw4u	25	25	leading	lead	VBG
cord-351222-9bfchw4u	25	26	pharma	pharma	NNS
cord-351222-9bfchw4u	25	27	companies	company	NNS
cord-351222-9bfchw4u	25	28	versus	versus	IN
cord-351222-9bfchw4u	25	29	new	new	JJ
cord-351222-9bfchw4u	25	30	drugs	drug	NNS
cord-351222-9bfchw4u	25	31	on	on	IN
cord-351222-9bfchw4u	25	32	the	the	DT
cord-351222-9bfchw4u	25	33	market	market	NN
cord-351222-9bfchw4u	25	34	.	.	.
cord-351222-9bfchw4u	26	1	They	-PRON-	PRP
cord-351222-9bfchw4u	26	2	have	have	VBP
cord-351222-9bfchw4u	26	3	steadily	steadily	RB
cord-351222-9bfchw4u	26	4	fallen	fall	VBN
cord-351222-9bfchw4u	26	5	in	in	IN
cord-351222-9bfchw4u	26	6	recent	recent	JJ
cord-351222-9bfchw4u	26	7	years	year	NNS
cord-351222-9bfchw4u	26	8	despite	despite	IN
cord-351222-9bfchw4u	26	9	the	the	DT
cord-351222-9bfchw4u	26	10	increasing	increase	VBG
cord-351222-9bfchw4u	26	11	financial	financial	JJ
cord-351222-9bfchw4u	26	12	efforts	effort	NNS
cord-351222-9bfchw4u	26	13	[	[	-LRB-
cord-351222-9bfchw4u	26	14	3	3	CD
cord-351222-9bfchw4u	26	15	]	]	-RRB-
cord-351222-9bfchw4u	26	16	.	.	.
cord-351222-9bfchw4u	27	1	On	on	IN
cord-351222-9bfchw4u	27	2	the	the	DT
cord-351222-9bfchw4u	27	3	other	other	JJ
cord-351222-9bfchw4u	27	4	side	side	NN
cord-351222-9bfchw4u	27	5	we	-PRON-	PRP
cord-351222-9bfchw4u	27	6	are	be	VBP
cord-351222-9bfchw4u	27	7	faced	face	VBN
cord-351222-9bfchw4u	27	8	by	by	IN
cord-351222-9bfchw4u	27	9	a	a	DT
cord-351222-9bfchw4u	27	10	high	high	JJ
cord-351222-9bfchw4u	27	11	traditional	traditional	JJ
cord-351222-9bfchw4u	27	12	impact	impact	NN
cord-351222-9bfchw4u	27	13	of	of	IN
cord-351222-9bfchw4u	27	14	naturally	naturally	RB
cord-351222-9bfchw4u	27	15	derived	derive	VBN
cord-351222-9bfchw4u	27	16	medicines	medicine	NNS
cord-351222-9bfchw4u	27	17	and	and	CC
cord-351222-9bfchw4u	27	18	incredible	incredible	JJ
cord-351222-9bfchw4u	27	19	success	success	NN
cord-351222-9bfchw4u	27	20	stories	story	NNS
cord-351222-9bfchw4u	27	21	of	of	IN
cord-351222-9bfchw4u	27	22	natural	natural	JJ
cord-351222-9bfchw4u	27	23	products	product	NNS
cord-351222-9bfchw4u	27	24	(	(	-LRB-
cord-351222-9bfchw4u	27	25	NPs	NPs	NNP
cord-351222-9bfchw4u	27	26	)	)	-RRB-
cord-351222-9bfchw4u	27	27	as	as	IN
cord-351222-9bfchw4u	27	28	potent	potent	JJ
cord-351222-9bfchw4u	27	29	remedies	remedy	NNS
cord-351222-9bfchw4u	27	30	from	from	IN
cord-351222-9bfchw4u	27	31	the	the	DT
cord-351222-9bfchw4u	27	32	beginnings	beginning	NNS
cord-351222-9bfchw4u	27	33	of	of	IN
cord-351222-9bfchw4u	27	34	human	human	JJ
cord-351222-9bfchw4u	27	35	therapeutic	therapeutic	JJ
cord-351222-9bfchw4u	27	36	activity	activity	NN
cord-351222-9bfchw4u	27	37	to	to	IN
cord-351222-9bfchw4u	27	38	modern	modern	JJ
cord-351222-9bfchw4u	27	39	research	research	NN
cord-351222-9bfchw4u	27	40	and	and	CC
cord-351222-9bfchw4u	27	41	drug	drug	NN
cord-351222-9bfchw4u	27	42	development	development	NN
cord-351222-9bfchw4u	27	43	.	.	.
cord-351222-9bfchw4u	28	1	Nevertheless	nevertheless	RB
cord-351222-9bfchw4u	28	2	,	,	,
cord-351222-9bfchw4u	28	3	most	most	RBS
cord-351222-9bfchw4u	28	4	large	large	JJ
cord-351222-9bfchw4u	28	5	pharmaceutical	pharmaceutical	JJ
cord-351222-9bfchw4u	28	6	companies	company	NNS
cord-351222-9bfchw4u	28	7	scaled	scale	VBD
cord-351222-9bfchw4u	28	8	down	down	RP
cord-351222-9bfchw4u	28	9	or	or	CC
cord-351222-9bfchw4u	28	10	terminated	terminate	VBN
cord-351222-9bfchw4u	28	11	their	-PRON-	PRP$
cord-351222-9bfchw4u	28	12	work	work	NN
cord-351222-9bfchw4u	28	13	in	in	IN
cord-351222-9bfchw4u	28	14	NPs	NPs	NNP
cord-351222-9bfchw4u	28	15	operations	operation	NNS
cord-351222-9bfchw4u	28	16	.	.	.
cord-351222-9bfchw4u	29	1	The	the	DT
cord-351222-9bfchw4u	29	2	reasons	reason	NNS
cord-351222-9bfchw4u	29	3	behind	behind	IN
cord-351222-9bfchw4u	29	4	this	this	DT
cord-351222-9bfchw4u	29	5	are	be	VBP
cord-351222-9bfchw4u	29	6	that	that	IN
cord-351222-9bfchw4u	29	7	the	the	DT
cord-351222-9bfchw4u	29	8	drug	drug	NN
cord-351222-9bfchw4u	29	9	discovery	discovery	NN
cord-351222-9bfchw4u	29	10	process	process	NN
cord-351222-9bfchw4u	29	11	starting	start	VBG
cord-351222-9bfchw4u	29	12	from	from	IN
cord-351222-9bfchw4u	29	13	natural	natural	JJ
cord-351222-9bfchw4u	29	14	sources	source	NNS
cord-351222-9bfchw4u	29	15	is	be	VBZ
cord-351222-9bfchw4u	29	16	hardly	hardly	RB
cord-351222-9bfchw4u	29	17	compatible	compatible	JJ
cord-351222-9bfchw4u	29	18	with	with	IN
cord-351222-9bfchw4u	29	19	the	the	DT
cord-351222-9bfchw4u	29	20	today	today	NN
cord-351222-9bfchw4u	29	21	's	's	POS
cord-351222-9bfchw4u	29	22	highly	highly	RB
cord-351222-9bfchw4u	29	23	automated	automate	VBN
cord-351222-9bfchw4u	29	24	drug	drug	NN
cord-351222-9bfchw4u	29	25	discovery	discovery	NN
cord-351222-9bfchw4u	29	26	technologies	technology	NNS
cord-351222-9bfchw4u	29	27	.	.	.
cord-351222-9bfchw4u	30	1	Thus	thus	RB
cord-351222-9bfchw4u	30	2	,	,	,
cord-351222-9bfchw4u	30	3	the	the	DT
cord-351222-9bfchw4u	30	4	pre	pre	NN
cord-351222-9bfchw4u	30	5	-	-	NN
cord-351222-9bfchw4u	30	6	eminence	eminence	NN
cord-351222-9bfchw4u	30	7	of	of	IN
cord-351222-9bfchw4u	30	8	combinatorial	combinatorial	JJ
cord-351222-9bfchw4u	30	9	chemistry	chemistry	NN
cord-351222-9bfchw4u	30	10	as	as	IN
cord-351222-9bfchw4u	30	11	the	the	DT
cord-351222-9bfchw4u	30	12	preferred	preferred	JJ
cord-351222-9bfchw4u	30	13	method	method	NN
cord-351222-9bfchw4u	30	14	for	for	IN
cord-351222-9bfchw4u	30	15	generating	generate	VBG
cord-351222-9bfchw4u	30	16	new	new	JJ
cord-351222-9bfchw4u	30	17	drug	drug	NN
cord-351222-9bfchw4u	30	18	leads	lead	NNS
cord-351222-9bfchw4u	30	19	has	have	VBZ
cord-351222-9bfchw4u	30	20	led	lead	VBN
cord-351222-9bfchw4u	30	21	to	to	IN
cord-351222-9bfchw4u	30	22	the	the	DT
cord-351222-9bfchw4u	30	23	comparative	comparative	JJ
cord-351222-9bfchw4u	30	24	neglect	neglect	NN
cord-351222-9bfchw4u	30	25	of	of	IN
cord-351222-9bfchw4u	30	26	this	this	DT
cord-351222-9bfchw4u	30	27	valuable	valuable	JJ
cord-351222-9bfchw4u	30	28	resource	resource	NN
cord-351222-9bfchw4u	30	29	.	.	.
cord-351222-9bfchw4u	31	1	William	William	NNP
cord-351222-9bfchw4u	31	2	Strohl	Strohl	NNP
cord-351222-9bfchw4u	31	3	from	from	IN
cord-351222-9bfchw4u	31	4	Merck	Merck	NNP
cord-351222-9bfchw4u	31	5	Research	Research	NNP
cord-351222-9bfchw4u	31	6	Laboratories	Laboratories	NNPS
cord-351222-9bfchw4u	31	7	summarized	summarize	VBD
cord-351222-9bfchw4u	31	8	the	the	DT
cord-351222-9bfchw4u	31	9	difficulties	difficulty	NNS
cord-351222-9bfchw4u	31	10	of	of	IN
cord-351222-9bfchw4u	31	11	NP	NP	NNP
cord-351222-9bfchw4u	31	12	programs	program	NNS
cord-351222-9bfchw4u	31	13	versus	versus	IN
cord-351222-9bfchw4u	31	14	synthetic	synthetic	JJ
cord-351222-9bfchw4u	31	15	chemicals	chemical	NNS
cord-351222-9bfchw4u	31	16	in	in	IN
cord-351222-9bfchw4u	31	17	his	-PRON-	PRP$
cord-351222-9bfchw4u	31	18	editorial	editorial	JJ
cord-351222-9bfchw4u	31	19	remarks	remark	NNS
cord-351222-9bfchw4u	31	20	in	in	IN
cord-351222-9bfchw4u	31	21	Drug	Drug	NNP
cord-351222-9bfchw4u	31	22	Discovery	Discovery	NNP
cord-351222-9bfchw4u	31	23	Today	Today	NNP
cord-351222-9bfchw4u	31	24	[	[	-LRB-
cord-351222-9bfchw4u	31	25	4	4	CD
cord-351222-9bfchw4u	31	26	]	]	-RRB-
cord-351222-9bfchw4u	31	27	.	.	.
cord-351222-9bfchw4u	32	1	These	these	DT
cord-351222-9bfchw4u	32	2	include	include	VBP
cord-351222-9bfchw4u	32	3	(	(	-LRB-
cord-351222-9bfchw4u	32	4	i	i	NN
cord-351222-9bfchw4u	32	5	)	)	-RRB-
cord-351222-9bfchw4u	33	1	the	the	DT
cord-351222-9bfchw4u	33	2	existence	existence	NN
cord-351222-9bfchw4u	33	3	of	of	IN
cord-351222-9bfchw4u	33	4	already	already	RB
cord-351222-9bfchw4u	33	5	found	find	VBN
cord-351222-9bfchw4u	33	6	potent	potent	JJ
cord-351222-9bfchw4u	33	7	antimicrobic	antimicrobic	JJ
cord-351222-9bfchw4u	33	8	and	and	CC
cord-351222-9bfchw4u	33	9	antitumor	antitumor	JJ
cord-351222-9bfchw4u	33	10	NPs	NPs	NNP
cord-351222-9bfchw4u	33	11	and	and	CC
cord-351222-9bfchw4u	33	12	the	the	DT
cord-351222-9bfchw4u	33	13	lack	lack	NN
cord-351222-9bfchw4u	33	14	of	of	IN
cord-351222-9bfchw4u	33	15	sufficient	sufficient	JJ
cord-351222-9bfchw4u	33	16	dereplication	dereplication	NN
cord-351222-9bfchw4u	33	17	programs	program	NNS
cord-351222-9bfchw4u	33	18	which	which	WDT
cord-351222-9bfchw4u	33	19	prevent	prevent	VBP
cord-351222-9bfchw4u	33	20	their	-PRON-	PRP$
cord-351222-9bfchw4u	33	21	repeated	repeated	JJ
cord-351222-9bfchw4u	33	22	discovery	discovery	NN
cord-351222-9bfchw4u	33	23	;	;	.
cord-351222-9bfchw4u	34	1	(	(	-LRB-
cord-351222-9bfchw4u	34	2	ii	ii	LS
cord-351222-9bfchw4u	34	3	)	)	-RRB-
cord-351222-9bfchw4u	34	4	the	the	DT
cord-351222-9bfchw4u	34	5	fact	fact	NN
cord-351222-9bfchw4u	34	6	that	that	IN
cord-351222-9bfchw4u	34	7	-in	-in	:
cord-351222-9bfchw4u	34	8	contrast	contrast	NN
cord-351222-9bfchw4u	34	9	to	to	IN
cord-351222-9bfchw4u	34	10	the	the	DT
cord-351222-9bfchw4u	34	11	highly	highly	RB
cord-351222-9bfchw4u	34	12	sophisticated	sophisticated	JJ
cord-351222-9bfchw4u	34	13	molecular	molecular	JJ
cord-351222-9bfchw4u	34	14	targets	target	NNS
cord-351222-9bfchw4u	34	15	-NP	-NP	.
cord-351222-9bfchw4u	34	16	extracts	extract	NNS
cord-351222-9bfchw4u	34	17	are	be	VBP
cord-351222-9bfchw4u	34	18	generally	generally	RB
cord-351222-9bfchw4u	34	19	regarded	regard	VBN
cord-351222-9bfchw4u	34	20	as	as	RB
cord-351222-9bfchw4u	34	21	too	too	RB
cord-351222-9bfchw4u	34	22	'	'	``
cord-351222-9bfchw4u	34	23	dirty	dirty	JJ
cord-351222-9bfchw4u	34	24	'	'	''
cord-351222-9bfchw4u	34	25	,	,	,
cord-351222-9bfchw4u	34	26	too	too	RB
cord-351222-9bfchw4u	34	27	difficult	difficult	JJ
cord-351222-9bfchw4u	34	28	to	to	TO
cord-351222-9bfchw4u	34	29	assay	assay	VB
cord-351222-9bfchw4u	34	30	and	and	CC
cord-351222-9bfchw4u	34	31	too	too	RB
cord-351222-9bfchw4u	34	32	time	time	NN
cord-351222-9bfchw4u	34	33	-	-	HYPH
cord-351222-9bfchw4u	34	34	consuming	consume	VBG
cord-351222-9bfchw4u	34	35	;	;	:
cord-351222-9bfchw4u	34	36	(	(	-LRB-
cord-351222-9bfchw4u	34	37	iii	iii	NN
cord-351222-9bfchw4u	34	38	)	)	-RRB-
cord-351222-9bfchw4u	34	39	obtaining	obtain	VBG
cord-351222-9bfchw4u	34	40	an	an	DT
cord-351222-9bfchw4u	34	41	assay	assay	NN
cord-351222-9bfchw4u	34	42	hit	hit	VBN
cord-351222-9bfchw4u	34	43	resulting	result	VBG
cord-351222-9bfchw4u	34	44	from	from	IN
cord-351222-9bfchw4u	34	45	a	a	DT
cord-351222-9bfchw4u	34	46	bio	bio	JJ
cord-351222-9bfchw4u	34	47	-	-	JJ
cord-351222-9bfchw4u	34	48	guided	guide	VBN
cord-351222-9bfchw4u	34	49	fractionation	fractionation	NN
cord-351222-9bfchw4u	34	50	,	,	,
cord-351222-9bfchw4u	34	51	the	the	DT
cord-351222-9bfchw4u	34	52	NPs	NPs	NNPS
cord-351222-9bfchw4u	34	53	'	'	POS
cord-351222-9bfchw4u	34	54	structure	structure	NN
cord-351222-9bfchw4u	34	55	still	still	RB
cord-351222-9bfchw4u	34	56	has	have	VBZ
cord-351222-9bfchw4u	34	57	to	to	TO
cord-351222-9bfchw4u	34	58	be	be	VB
cord-351222-9bfchw4u	34	59	elucidated	elucidate	VBN
cord-351222-9bfchw4u	34	60	compared	compare	VBN
cord-351222-9bfchw4u	34	61	with	with	IN
cord-351222-9bfchw4u	34	62	synthetic	synthetic	JJ
cord-351222-9bfchw4u	34	63	chemicals	chemical	NNS
cord-351222-9bfchw4u	34	64	;	;	,
cord-351222-9bfchw4u	34	65	(	(	-LRB-
cord-351222-9bfchw4u	34	66	iv	iv	LS
cord-351222-9bfchw4u	34	67	)	)	-RRB-
cord-351222-9bfchw4u	34	68	NPs	np	NNS
cord-351222-9bfchw4u	34	69	are	be	VBP
cord-351222-9bfchw4u	34	70	often	often	RB
cord-351222-9bfchw4u	34	71	deemed	deem	VBN
cord-351222-9bfchw4u	34	72	as	as	RB
cord-351222-9bfchw4u	34	73	too	too	RB
cord-351222-9bfchw4u	34	74	structurally	structurally	RB
cord-351222-9bfchw4u	34	75	complex	complex	JJ
cord-351222-9bfchw4u	34	76	,	,	,
cord-351222-9bfchw4u	34	77	possessing	possess	VBG
cord-351222-9bfchw4u	34	78	multiple	multiple	JJ
cord-351222-9bfchw4u	34	79	hydroxyl	hydroxyl	NN
cord-351222-9bfchw4u	34	80	moieties	moiety	NNS
cord-351222-9bfchw4u	34	81	,	,	,
cord-351222-9bfchw4u	34	82	ketones	ketone	NNS
cord-351222-9bfchw4u	34	83	and	and	CC
cord-351222-9bfchw4u	34	84	chiral	chiral	JJ
cord-351222-9bfchw4u	34	85	centers	center	NNS
cord-351222-9bfchw4u	34	86	.	.	.
cord-351222-9bfchw4u	35	1	Strohl	Strohl	NNP
cord-351222-9bfchw4u	35	2	nevertheless	nevertheless	RB
cord-351222-9bfchw4u	35	3	concluded	conclude	VBD
cord-351222-9bfchw4u	35	4	by	by	IN
cord-351222-9bfchw4u	35	5	listing	list	VBG
cord-351222-9bfchw4u	35	6	a	a	DT
cord-351222-9bfchw4u	35	7	number	number	NN
cord-351222-9bfchw4u	35	8	of	of	IN
cord-351222-9bfchw4u	35	9	advantages	advantage	NNS
cord-351222-9bfchw4u	35	10	applying	apply	VBG
cord-351222-9bfchw4u	35	11	an	an	DT
cord-351222-9bfchw4u	35	12	active	active	JJ
cord-351222-9bfchw4u	35	13	NP	NP	NNP
cord-351222-9bfchw4u	35	14	program	program	NN
cord-351222-9bfchw4u	35	15	,	,	,
cord-351222-9bfchw4u	35	16	which	which	WDT
cord-351222-9bfchw4u	35	17	he	-PRON-	PRP
cord-351222-9bfchw4u	35	18	finally	finally	RB
cord-351222-9bfchw4u	35	19	described	describe	VBD
cord-351222-9bfchw4u	35	20	as	as	IN
cord-351222-9bfchw4u	35	21	an	an	DT
cord-351222-9bfchw4u	35	22	'	'	``
cord-351222-9bfchw4u	35	23	expensive	expensive	JJ
cord-351222-9bfchw4u	35	24	endeavor	endeavor	NN
cord-351222-9bfchw4u	35	25	'	'	''
cord-351222-9bfchw4u	35	26	which	which	WDT
cord-351222-9bfchw4u	35	27	,	,	,
cord-351222-9bfchw4u	35	28	however	however	RB
cord-351222-9bfchw4u	35	29	,	,	,
cord-351222-9bfchw4u	35	30	is	be	VBZ
cord-351222-9bfchw4u	35	31	'	'	``
cord-351222-9bfchw4u	35	32	well	well	RB
cord-351222-9bfchw4u	35	33	worth	worth	JJ
cord-351222-9bfchw4u	35	34	the	the	DT
cord-351222-9bfchw4u	35	35	cost	cost	NN
cord-351222-9bfchw4u	35	36	'	'	''
cord-351222-9bfchw4u	35	37	.	.	.
cord-351222-9bfchw4u	36	1	The	the	DT
cord-351222-9bfchw4u	36	2	use	use	NN
cord-351222-9bfchw4u	36	3	of	of	IN
cord-351222-9bfchw4u	36	4	NPs	NPs	NNP
cord-351222-9bfchw4u	36	5	has	have	VBZ
cord-351222-9bfchw4u	36	6	been	be	VBN
cord-351222-9bfchw4u	36	7	the	the	DT
cord-351222-9bfchw4u	36	8	single	single	RB
cord-351222-9bfchw4u	36	9	-	-	HYPH
cord-351222-9bfchw4u	36	10	most	most	RBS
cord-351222-9bfchw4u	36	11	successful	successful	JJ
cord-351222-9bfchw4u	36	12	strategy	strategy	NN
cord-351222-9bfchw4u	36	13	for	for	IN
cord-351222-9bfchw4u	36	14	the	the	DT
cord-351222-9bfchw4u	36	15	discovery	discovery	NN
cord-351222-9bfchw4u	36	16	of	of	IN
cord-351222-9bfchw4u	36	17	new	new	JJ
cord-351222-9bfchw4u	36	18	drug	drug	NN
cord-351222-9bfchw4u	36	19	leads	lead	NNS
cord-351222-9bfchw4u	36	20	,	,	,
cord-351222-9bfchw4u	36	21	which	which	WDT
cord-351222-9bfchw4u	36	22	is	be	VBZ
cord-351222-9bfchw4u	36	23	clearly	clearly	RB
cord-351222-9bfchw4u	36	24	shown	show	VBN
cord-351222-9bfchw4u	36	25	by	by	IN
cord-351222-9bfchw4u	36	26	different	different	JJ
cord-351222-9bfchw4u	36	27	statistics	statistic	NNS
cord-351222-9bfchw4u	36	28	[	[	-LRB-
cord-351222-9bfchw4u	36	29	5	5	CD
cord-351222-9bfchw4u	36	30	,	,	,
cord-351222-9bfchw4u	36	31	6	6	CD
cord-351222-9bfchw4u	36	32	]	]	-RRB-
cord-351222-9bfchw4u	36	33	.	.	.
cord-351222-9bfchw4u	37	1	With	with	IN
cord-351222-9bfchw4u	37	2	increased	increase	VBN
cord-351222-9bfchw4u	37	3	calls	call	NNS
cord-351222-9bfchw4u	37	4	in	in	IN
cord-351222-9bfchw4u	37	5	recent	recent	JJ
cord-351222-9bfchw4u	37	6	years	year	NNS
cord-351222-9bfchw4u	37	7	for	for	IN
cord-351222-9bfchw4u	37	8	further	further	JJ
cord-351222-9bfchw4u	37	9	research	research	NN
cord-351222-9bfchw4u	37	10	on	on	IN
cord-351222-9bfchw4u	37	11	NPs	NPs	NNPS
cord-351222-9bfchw4u	37	12	[	[	-LRB-
cord-351222-9bfchw4u	37	13	7	7	CD
cord-351222-9bfchw4u	37	14	,	,	,
cord-351222-9bfchw4u	37	15	8	8	CD
cord-351222-9bfchw4u	37	16	]	]	-RRB-
cord-351222-9bfchw4u	37	17	there	there	EX
cord-351222-9bfchw4u	37	18	are	be	VBP
cord-351222-9bfchw4u	37	19	again	again	RB
cord-351222-9bfchw4u	37	20	signs	sign	NNS
cord-351222-9bfchw4u	37	21	that	that	IN
cord-351222-9bfchw4u	37	22	they	-PRON-	PRP
cord-351222-9bfchw4u	37	23	may	may	MD
cord-351222-9bfchw4u	37	24	play	play	VB
cord-351222-9bfchw4u	37	25	a	a	DT
cord-351222-9bfchw4u	37	26	more	more	RBR
cord-351222-9bfchw4u	37	27	active	active	JJ
cord-351222-9bfchw4u	37	28	role	role	NN
cord-351222-9bfchw4u	37	29	in	in	IN
cord-351222-9bfchw4u	37	30	the	the	DT
cord-351222-9bfchw4u	37	31	future	future	JJ
cord-351222-9bfchw4u	37	32	drug	drug	NN
cord-351222-9bfchw4u	37	33	discovery	discovery	NN
cord-351222-9bfchw4u	37	34	process	process	NN
cord-351222-9bfchw4u	37	35	,	,	,
cord-351222-9bfchw4u	37	36	since	since	IN
cord-351222-9bfchw4u	37	37	their	-PRON-	PRP$
cord-351222-9bfchw4u	37	38	reintroducing	reintroducing	NN
cord-351222-9bfchw4u	37	39	may	may	MD
cord-351222-9bfchw4u	37	40	help	help	VB
cord-351222-9bfchw4u	37	41	to	to	TO
cord-351222-9bfchw4u	37	42	re	re	VB
cord-351222-9bfchw4u	37	43	-	-	VB
cord-351222-9bfchw4u	37	44	discover	discover	VB
cord-351222-9bfchw4u	37	45	the	the	DT
cord-351222-9bfchw4u	37	46	sweet	sweet	JJ
cord-351222-9bfchw4u	37	47	spot	spot	NN
cord-351222-9bfchw4u	37	48	in	in	IN
cord-351222-9bfchw4u	37	49	drug	drug	NN
cord-351222-9bfchw4u	37	50	discovery	discovery	NN
cord-351222-9bfchw4u	37	51	[	[	-LRB-
cord-351222-9bfchw4u	37	52	1	1	CD
cord-351222-9bfchw4u	37	53	]	]	-RRB-
cord-351222-9bfchw4u	37	54	.	.	.
cord-351222-9bfchw4u	38	1	To	to	IN
cord-351222-9bfchw4u	38	2	date	date	NN
cord-351222-9bfchw4u	38	3	some	some	DT
cord-351222-9bfchw4u	38	4	200,000	200,000	CD
cord-351222-9bfchw4u	38	5	natural	natural	JJ
cord-351222-9bfchw4u	38	6	compounds	compound	NNS
cord-351222-9bfchw4u	38	7	[	[	-LRB-
cord-351222-9bfchw4u	38	8	9	9	CD
cord-351222-9bfchw4u	38	9	-11	-11	VBD
cord-351222-9bfchw4u	38	10	]	]	-RRB-
cord-351222-9bfchw4u	38	11	have	have	VBP
cord-351222-9bfchw4u	38	12	been	be	VBN
cord-351222-9bfchw4u	38	13	published	publish	VBN
cord-351222-9bfchw4u	38	14	.	.	.
cord-351222-9bfchw4u	39	1	The	the	DT
cord-351222-9bfchw4u	39	2	terrestrial	terrestrial	JJ
cord-351222-9bfchw4u	39	3	flora	flora	NNS
cord-351222-9bfchw4u	39	4	has	have	VBZ
cord-351222-9bfchw4u	39	5	been	be	VBN
cord-351222-9bfchw4u	39	6	intensively	intensively	RB
cord-351222-9bfchw4u	39	7	investigated	investigate	VBN
cord-351222-9bfchw4u	39	8	over	over	IN
cord-351222-9bfchw4u	39	9	the	the	DT
cord-351222-9bfchw4u	39	10	last	last	JJ
cord-351222-9bfchw4u	39	11	decades	decade	NNS
cord-351222-9bfchw4u	39	12	;	;	:
cord-351222-9bfchw4u	39	13	the	the	DT
cord-351222-9bfchw4u	39	14	potential	potential	NN
cord-351222-9bfchw4u	39	15	in	in	IN
cord-351222-9bfchw4u	39	16	finding	find	VBG
cord-351222-9bfchw4u	39	17	new	new	JJ
cord-351222-9bfchw4u	39	18	NPs	NPs	NNPS
cord-351222-9bfchw4u	39	19	slumbering	slumber	VBG
cord-351222-9bfchw4u	39	20	in	in	IN
cord-351222-9bfchw4u	39	21	untapped	untapped	JJ
cord-351222-9bfchw4u	39	22	biota	biota	NN
cord-351222-9bfchw4u	39	23	is	be	VBZ
cord-351222-9bfchw4u	39	24	however	however	RB
cord-351222-9bfchw4u	39	25	nearly	nearly	RB
cord-351222-9bfchw4u	39	26	inconceivable	inconceivable	JJ
cord-351222-9bfchw4u	39	27	.	.	.
cord-351222-9bfchw4u	40	1	It	-PRON-	PRP
cord-351222-9bfchw4u	40	2	is	be	VBZ
cord-351222-9bfchw4u	40	3	estimated	estimate	VBN
cord-351222-9bfchw4u	40	4	that	that	IN
cord-351222-9bfchw4u	40	5	only	only	RB
cord-351222-9bfchw4u	40	6	5	5	CD
cord-351222-9bfchw4u	40	7	-	-	SYM
cord-351222-9bfchw4u	40	8	15	15	CD
cord-351222-9bfchw4u	40	9	%	%	NN
cord-351222-9bfchw4u	40	10	of	of	IN
cord-351222-9bfchw4u	40	11	the	the	DT
cord-351222-9bfchw4u	40	12	approximately	approximately	RB
cord-351222-9bfchw4u	40	13	250,000	250,000	CD
cord-351222-9bfchw4u	40	14	described	describe	VBN
cord-351222-9bfchw4u	40	15	high	high	JJ
cord-351222-9bfchw4u	40	16	plant	plant	NN
cord-351222-9bfchw4u	40	17	species	specie	NNS
cord-351222-9bfchw4u	40	18	have	have	VBP
cord-351222-9bfchw4u	40	19	ever	ever	RB
cord-351222-9bfchw4u	40	20	been	be	VBN
cord-351222-9bfchw4u	40	21	in	in	IN
cord-351222-9bfchw4u	40	22	the	the	DT
cord-351222-9bfchw4u	40	23	focus	focus	NN
cord-351222-9bfchw4u	40	24	of	of	IN
cord-351222-9bfchw4u	40	25	phytochemical	phytochemical	JJ
cord-351222-9bfchw4u	40	26	and	and	CC
cord-351222-9bfchw4u	40	27	pharmacological	pharmacological	JJ
cord-351222-9bfchw4u	40	28	investigations	investigation	NNS
cord-351222-9bfchw4u	40	29	[	[	-LRB-
cord-351222-9bfchw4u	40	30	12	12	CD
cord-351222-9bfchw4u	40	31	]	]	-RRB-
cord-351222-9bfchw4u	40	32	.	.	.
cord-351222-9bfchw4u	41	1	More	more	RBR
cord-351222-9bfchw4u	41	2	sobering	sobering	JJ
cord-351222-9bfchw4u	41	3	is	be	VBZ
cord-351222-9bfchw4u	41	4	the	the	DT
cord-351222-9bfchw4u	41	5	percentage	percentage	NN
cord-351222-9bfchw4u	41	6	in	in	IN
cord-351222-9bfchw4u	41	7	the	the	DT
cord-351222-9bfchw4u	41	8	field	field	NN
cord-351222-9bfchw4u	41	9	of	of	IN
cord-351222-9bfchw4u	41	10	bacterial	bacterial	NN
cord-351222-9bfchw4u	41	11	(	(	-LRB-
cord-351222-9bfchw4u	41	12	less	less	JJR
cord-351222-9bfchw4u	41	13	than	than	IN
cord-351222-9bfchw4u	41	14	1	1	CD
cord-351222-9bfchw4u	41	15	%	%	NN
cord-351222-9bfchw4u	41	16	)	)	-RRB-
cord-351222-9bfchw4u	41	17	and	and	CC
cord-351222-9bfchw4u	41	18	fungal	fungal	JJ
cord-351222-9bfchw4u	41	19	species	specie	NNS
cord-351222-9bfchw4u	41	20	(	(	-LRB-
cord-351222-9bfchw4u	41	21	less	less	JJR
cord-351222-9bfchw4u	41	22	than	than	IN
cord-351222-9bfchw4u	41	23	5	5	CD
cord-351222-9bfchw4u	41	24	%	%	NN
cord-351222-9bfchw4u	41	25	)	)	-RRB-
cord-351222-9bfchw4u	41	26	[	[	-LRB-
cord-351222-9bfchw4u	41	27	13	13	CD
cord-351222-9bfchw4u	41	28	]	]	-RRB-
cord-351222-9bfchw4u	41	29	.	.	.
cord-351222-9bfchw4u	42	1	The	the	DT
cord-351222-9bfchw4u	42	2	main	main	JJ
cord-351222-9bfchw4u	42	3	part	part	NN
cord-351222-9bfchw4u	42	4	of	of	IN
cord-351222-9bfchw4u	42	5	known	know	VBN
cord-351222-9bfchw4u	42	6	NPs	NPs	NNPS
cord-351222-9bfchw4u	42	7	belongs	belong	VBZ
cord-351222-9bfchw4u	42	8	to	to	IN
cord-351222-9bfchw4u	42	9	secondary	secondary	JJ
cord-351222-9bfchw4u	42	10	metabolites	metabolite	NNS
cord-351222-9bfchw4u	42	11	.	.	.
cord-351222-9bfchw4u	43	1	These	these	DT
cord-351222-9bfchw4u	43	2	compounds	compound	NNS
cord-351222-9bfchw4u	43	3	provide	provide	VBP
cord-351222-9bfchw4u	43	4	living	live	VBG
cord-351222-9bfchw4u	43	5	systems	system	NNS
cord-351222-9bfchw4u	43	6	with	with	IN
cord-351222-9bfchw4u	43	7	their	-PRON-	PRP$
cord-351222-9bfchw4u	43	8	characteristic	characteristic	JJ
cord-351222-9bfchw4u	43	9	features	feature	VBZ
cord-351222-9bfchw4u	43	10	mandatory	mandatory	JJ
cord-351222-9bfchw4u	43	11	for	for	IN
cord-351222-9bfchw4u	43	12	surviving	survive	VBG
cord-351222-9bfchw4u	43	13	.	.	.
cord-351222-9bfchw4u	44	1	They	-PRON-	PRP
cord-351222-9bfchw4u	44	2	contain	contain	VBP
cord-351222-9bfchw4u	44	3	an	an	DT
cord-351222-9bfchw4u	44	4	inherently	inherently	RB
cord-351222-9bfchw4u	44	5	large	large	JJ
cord-351222-9bfchw4u	44	6	-	-	HYPH
cord-351222-9bfchw4u	44	7	scale	scale	NN
cord-351222-9bfchw4u	44	8	of	of	IN
cord-351222-9bfchw4u	44	9	structural	structural	JJ
cord-351222-9bfchw4u	44	10	diversity	diversity	NN
cord-351222-9bfchw4u	44	11	.	.	.
cord-351222-9bfchw4u	45	1	About	about	RB
cord-351222-9bfchw4u	45	2	40	40	CD
cord-351222-9bfchw4u	45	3	%	%	NN
cord-351222-9bfchw4u	45	4	of	of	IN
cord-351222-9bfchw4u	45	5	the	the	DT
cord-351222-9bfchw4u	45	6	chemical	chemical	NN
cord-351222-9bfchw4u	45	7	scaffolds	scaffold	NNS
cord-351222-9bfchw4u	45	8	of	of	IN
cord-351222-9bfchw4u	45	9	published	publish	VBN
cord-351222-9bfchw4u	45	10	NPs	NPs	NNPS
cord-351222-9bfchw4u	45	11	are	be	VBP
cord-351222-9bfchw4u	45	12	unique	unique	JJ
cord-351222-9bfchw4u	45	13	and	and	CC
cord-351222-9bfchw4u	45	14	have	have	VBP
cord-351222-9bfchw4u	45	15	not	not	RB
cord-351222-9bfchw4u	45	16	been	be	VBN
cord-351222-9bfchw4u	45	17	made	make	VBN
cord-351222-9bfchw4u	45	18	by	by	IN
cord-351222-9bfchw4u	45	19	any	any	DT
cord-351222-9bfchw4u	45	20	chemist	chemist	NN
cord-351222-9bfchw4u	45	21	[	[	-LRB-
cord-351222-9bfchw4u	45	22	14	14	CD
cord-351222-9bfchw4u	45	23	]	]	-RRB-
cord-351222-9bfchw4u	45	24	.	.	.
cord-351222-9bfchw4u	46	1	In	in	IN
cord-351222-9bfchw4u	46	2	the	the	DT
cord-351222-9bfchw4u	46	3	past	past	JJ
cord-351222-9bfchw4u	46	4	100	100	CD
cord-351222-9bfchw4u	46	5	years	year	NNS
cord-351222-9bfchw4u	46	6	researchers	researcher	NNS
cord-351222-9bfchw4u	46	7	have	have	VBP
cord-351222-9bfchw4u	46	8	discovered	discover	VBN
cord-351222-9bfchw4u	46	9	many	many	JJ
cord-351222-9bfchw4u	46	10	potential	potential	JJ
cord-351222-9bfchw4u	46	11	therapeutic	therapeutic	JJ
cord-351222-9bfchw4u	46	12	targets	target	NNS
cord-351222-9bfchw4u	46	13	.	.	.
cord-351222-9bfchw4u	47	1	Since	since	IN
cord-351222-9bfchw4u	47	2	the	the	DT
cord-351222-9bfchw4u	47	3	completion	completion	NN
cord-351222-9bfchw4u	47	4	of	of	IN
cord-351222-9bfchw4u	47	5	the	the	DT
cord-351222-9bfchw4u	47	6	human	human	JJ
cord-351222-9bfchw4u	47	7	genome	genome	NN
cord-351222-9bfchw4u	47	8	,	,	,
cord-351222-9bfchw4u	47	9	30,000	30,000	CD
cord-351222-9bfchw4u	47	10	to	to	TO
cord-351222-9bfchw4u	47	11	40,000	40,000	CD
cord-351222-9bfchw4u	47	12	genes	gene	NNS
cord-351222-9bfchw4u	47	13	and	and	CC
cord-351222-9bfchw4u	47	14	at	at	IN
cord-351222-9bfchw4u	47	15	least	least	JJS
cord-351222-9bfchw4u	47	16	the	the	DT
cord-351222-9bfchw4u	47	17	same	same	JJ
cord-351222-9bfchw4u	47	18	number	number	NN
cord-351222-9bfchw4u	47	19	of	of	IN
cord-351222-9bfchw4u	47	20	proteins	protein	NNS
cord-351222-9bfchw4u	47	21	are	be	VBP
cord-351222-9bfchw4u	47	22	assumed	assume	VBN
cord-351222-9bfchw4u	47	23	[	[	-LRB-
cord-351222-9bfchw4u	47	24	15	15	CD
cord-351222-9bfchw4u	47	25	]	]	-RRB-
cord-351222-9bfchw4u	47	26	.	.	.
cord-351222-9bfchw4u	48	1	Thus	thus	RB
cord-351222-9bfchw4u	48	2	,	,	,
cord-351222-9bfchw4u	48	3	we	-PRON-	PRP
cord-351222-9bfchw4u	48	4	are	be	VBP
cord-351222-9bfchw4u	48	5	up	up	RP
cord-351222-9bfchw4u	48	6	against	against	IN
cord-351222-9bfchw4u	48	7	an	an	DT
cord-351222-9bfchw4u	48	8	increasing	increase	VBG
cord-351222-9bfchw4u	48	9	number	number	NN
cord-351222-9bfchw4u	48	10	of	of	IN
cord-351222-9bfchw4u	48	11	macromolecular	macromolecular	JJ
cord-351222-9bfchw4u	48	12	targets	target	NNS
cord-351222-9bfchw4u	48	13	,	,	,
cord-351222-9bfchw4u	48	14	like	like	IN
cord-351222-9bfchw4u	48	15	proteins	protein	NNS
cord-351222-9bfchw4u	48	16	,	,	,
cord-351222-9bfchw4u	48	17	receptors	receptor	NNS
cord-351222-9bfchw4u	48	18	,	,	,
cord-351222-9bfchw4u	48	19	enzymes	enzyme	NNS
cord-351222-9bfchw4u	48	20	,	,	,
cord-351222-9bfchw4u	48	21	and	and	CC
cord-351222-9bfchw4u	48	22	ion	ion	NN
cord-351222-9bfchw4u	48	23	channels	channel	NNS
cord-351222-9bfchw4u	48	24	-that	-that	WDT
cord-351222-9bfchw4u	48	25	might	may	MD
cord-351222-9bfchw4u	48	26	be	be	VB
cord-351222-9bfchw4u	48	27	of	of	IN
cord-351222-9bfchw4u	48	28	pathological	pathological	JJ
cord-351222-9bfchw4u	48	29	concern	concern	NN
cord-351222-9bfchw4u	48	30	for	for	IN
cord-351222-9bfchw4u	48	31	humankind	humankind	NN
cord-351222-9bfchw4u	48	32	.	.	.
cord-351222-9bfchw4u	49	1	Among	among	IN
cord-351222-9bfchw4u	49	2	them	-PRON-	PRP
cord-351222-9bfchw4u	49	3	,	,	,
cord-351222-9bfchw4u	49	4	proteins	protein	NNS
cord-351222-9bfchw4u	49	5	continue	continue	VBP
cord-351222-9bfchw4u	49	6	to	to	TO
cord-351222-9bfchw4u	49	7	attract	attract	VB
cord-351222-9bfchw4u	49	8	significant	significant	JJ
cord-351222-9bfchw4u	49	9	attention	attention	NN
cord-351222-9bfchw4u	49	10	from	from	IN
cord-351222-9bfchw4u	49	11	pharmaceutical	pharmaceutical	JJ
cord-351222-9bfchw4u	49	12	technology	technology	NN
cord-351222-9bfchw4u	49	13	as	as	IN
cord-351222-9bfchw4u	49	14	a	a	DT
cord-351222-9bfchw4u	49	15	valuable	valuable	JJ
cord-351222-9bfchw4u	49	16	source	source	NN
cord-351222-9bfchw4u	49	17	of	of	IN
cord-351222-9bfchw4u	49	18	drugable	drugable	JJ
cord-351222-9bfchw4u	49	19	targets	target	NNS
cord-351222-9bfchw4u	49	20	[	[	-LRB-
cord-351222-9bfchw4u	49	21	16	16	CD
cord-351222-9bfchw4u	49	22	]	]	-RRB-
cord-351222-9bfchw4u	49	23	.	.	.
cord-351222-9bfchw4u	50	1	Proteins	protein	NNS
cord-351222-9bfchw4u	50	2	provide	provide	VBP
cord-351222-9bfchw4u	50	3	the	the	DT
cord-351222-9bfchw4u	50	4	critical	critical	JJ
cord-351222-9bfchw4u	50	5	link	link	NN
cord-351222-9bfchw4u	50	6	between	between	IN
cord-351222-9bfchw4u	50	7	genes	gene	NNS
cord-351222-9bfchw4u	50	8	and	and	CC
cord-351222-9bfchw4u	50	9	disease	disease	NN
cord-351222-9bfchw4u	50	10	,	,	,
cord-351222-9bfchw4u	50	11	and	and	CC
cord-351222-9bfchw4u	50	12	thus	thus	RB
cord-351222-9bfchw4u	50	13	are	be	VBP
cord-351222-9bfchw4u	50	14	the	the	DT
cord-351222-9bfchw4u	50	15	key	key	NN
cord-351222-9bfchw4u	50	16	to	to	IN
cord-351222-9bfchw4u	50	17	understanding	understand	VBG
cord-351222-9bfchw4u	50	18	the	the	DT
cord-351222-9bfchw4u	50	19	basic	basic	JJ
cord-351222-9bfchw4u	50	20	biological	biological	JJ
cord-351222-9bfchw4u	50	21	processes	process	NNS
cord-351222-9bfchw4u	50	22	.	.	.
cord-351222-9bfchw4u	51	1	Up	up	IN
cord-351222-9bfchw4u	51	2	to	to	IN
cord-351222-9bfchw4u	51	3	now	now	RB
cord-351222-9bfchw4u	51	4	drug	drug	NN
cord-351222-9bfchw4u	51	5	discovery	discovery	NN
cord-351222-9bfchw4u	51	6	has	have	VBZ
cord-351222-9bfchw4u	51	7	been	be	VBN
cord-351222-9bfchw4u	51	8	performed	perform	VBN
cord-351222-9bfchw4u	51	9	against	against	IN
cord-351222-9bfchw4u	51	10	only	only	RB
cord-351222-9bfchw4u	51	11	approximately	approximately	RB
cord-351222-9bfchw4u	51	12	500	500	CD
cord-351222-9bfchw4u	51	13	targets	target	NNS
cord-351222-9bfchw4u	51	14	[	[	-LRB-
cord-351222-9bfchw4u	51	15	17	17	CD
cord-351222-9bfchw4u	51	16	]	]	-RRB-
cord-351222-9bfchw4u	51	17	,	,	,
cord-351222-9bfchw4u	51	18	though	though	IN
cord-351222-9bfchw4u	51	19	the	the	DT
cord-351222-9bfchw4u	51	20	number	number	NN
cord-351222-9bfchw4u	51	21	of	of	IN
cord-351222-9bfchw4u	51	22	potential	potential	JJ
cord-351222-9bfchw4u	51	23	targets	target	NNS
cord-351222-9bfchw4u	51	24	are	be	VBP
cord-351222-9bfchw4u	51	25	estimated	estimate	VBN
cord-351222-9bfchw4u	51	26	to	to	TO
cord-351222-9bfchw4u	51	27	be	be	VB
cord-351222-9bfchw4u	51	28	in	in	IN
cord-351222-9bfchw4u	51	29	the	the	DT
cord-351222-9bfchw4u	51	30	range	range	NN
cord-351222-9bfchw4u	51	31	of	of	IN
cord-351222-9bfchw4u	51	32	2,000	2,000	CD
cord-351222-9bfchw4u	51	33	to	to	TO
cord-351222-9bfchw4u	51	34	5,000	5,000	CD
cord-351222-9bfchw4u	51	35	[	[	-LRB-
cord-351222-9bfchw4u	51	36	2	2	CD
cord-351222-9bfchw4u	51	37	,	,	,
cord-351222-9bfchw4u	51	38	15	15	CD
cord-351222-9bfchw4u	51	39	]	]	-RRB-
cord-351222-9bfchw4u	51	40	.	.	.
cord-351222-9bfchw4u	52	1	Taken	take	VBN
cord-351222-9bfchw4u	52	2	together	together	RB
cord-351222-9bfchw4u	52	3	,	,	,
cord-351222-9bfchw4u	52	4	it	-PRON-	PRP
cord-351222-9bfchw4u	52	5	can	can	MD
cord-351222-9bfchw4u	52	6	be	be	VB
cord-351222-9bfchw4u	52	7	assumed	assume	VBN
cord-351222-9bfchw4u	52	8	that	that	IN
cord-351222-9bfchw4u	52	9	a	a	DT
cord-351222-9bfchw4u	52	10	large	large	JJ
cord-351222-9bfchw4u	52	11	number	number	NN
cord-351222-9bfchw4u	52	12	of	of	IN
cord-351222-9bfchw4u	52	13	drug	drug	NN
cord-351222-9bfchw4u	52	14	leads	lead	NNS
cord-351222-9bfchw4u	52	15	and	and	CC
cord-351222-9bfchw4u	52	16	hits	hit	NNS
cord-351222-9bfchw4u	52	17	are	be	VBP
cord-351222-9bfchw4u	52	18	conserved	conserve	VBN
cord-351222-9bfchw4u	52	19	in	in	IN
cord-351222-9bfchw4u	52	20	the	the	DT
cord-351222-9bfchw4u	52	21	inexhaustible	inexhaustible	JJ
cord-351222-9bfchw4u	52	22	pool	pool	NN
cord-351222-9bfchw4u	52	23	of	of	IN
cord-351222-9bfchw4u	52	24	NPs	NPs	NNP
cord-351222-9bfchw4u	52	25	pre	pre	VB
cord-351222-9bfchw4u	52	26	-	-	VBN
cord-351222-9bfchw4u	52	27	screened	screen	VBN
cord-351222-9bfchw4u	52	28	by	by	IN
cord-351222-9bfchw4u	52	29	evolution	evolution	NN
cord-351222-9bfchw4u	52	30	.	.	.
cord-351222-9bfchw4u	53	1	But	but	CC
cord-351222-9bfchw4u	53	2	how	how	WRB
cord-351222-9bfchw4u	53	3	to	to	TO
cord-351222-9bfchw4u	53	4	dig	dig	VB
cord-351222-9bfchw4u	53	5	out	out	RP
cord-351222-9bfchw4u	53	6	and	and	CC
cord-351222-9bfchw4u	53	7	to	to	TO
cord-351222-9bfchw4u	53	8	recognize	recognize	VB
cord-351222-9bfchw4u	53	9	the	the	DT
cord-351222-9bfchw4u	53	10	respective	respective	JJ
cord-351222-9bfchw4u	53	11	drug	drug	NN
cord-351222-9bfchw4u	53	12	leads	lead	NNS
cord-351222-9bfchw4u	53	13	is	be	VBZ
cord-351222-9bfchw4u	53	14	a	a	DT
cord-351222-9bfchw4u	53	15	challenging	challenging	JJ
cord-351222-9bfchw4u	53	16	task	task	NN
cord-351222-9bfchw4u	53	17	for	for	IN
cord-351222-9bfchw4u	53	18	both	both	DT
cord-351222-9bfchw4u	53	19	industry	industry	NN
cord-351222-9bfchw4u	53	20	and	and	CC
cord-351222-9bfchw4u	53	21	academia	academia	NN
cord-351222-9bfchw4u	53	22	,	,	,
cord-351222-9bfchw4u	53	23	for	for	IN
cord-351222-9bfchw4u	53	24	medicinal	medicinal	JJ
cord-351222-9bfchw4u	53	25	chemists	chemist	NNS
cord-351222-9bfchw4u	53	26	,	,	,
cord-351222-9bfchw4u	53	27	pharmacognosists	pharmacognosist	NNS
cord-351222-9bfchw4u	53	28	and	and	CC
cord-351222-9bfchw4u	53	29	pharmacologists	pharmacologist	NNS
cord-351222-9bfchw4u	53	30	.	.	.
cord-351222-9bfchw4u	54	1	NP	NP	NNP
cord-351222-9bfchw4u	54	2	research	research	NN
cord-351222-9bfchw4u	54	3	is	be	VBZ
cord-351222-9bfchw4u	54	4	affected	affect	VBN
cord-351222-9bfchw4u	54	5	with	with	IN
cord-351222-9bfchw4u	54	6	a	a	DT
cord-351222-9bfchw4u	54	7	wealth	wealth	NN
cord-351222-9bfchw4u	54	8	of	of	IN
cord-351222-9bfchw4u	54	9	time	time	NN
cord-351222-9bfchw4u	54	10	-	-	HYPH
cord-351222-9bfchw4u	54	11	consuming	consume	VBG
cord-351222-9bfchw4u	54	12	and	and	CC
cord-351222-9bfchw4u	54	13	cost	cost	VB
cord-351222-9bfchw4u	54	14	intensive	intensive	JJ
cord-351222-9bfchw4u	54	15	investigations	investigation	NNS
cord-351222-9bfchw4u	54	16	.	.	.
cord-351222-9bfchw4u	55	1	Collection	collection	NN
cord-351222-9bfchw4u	55	2	of	of	IN
cord-351222-9bfchw4u	55	3	the	the	DT
cord-351222-9bfchw4u	55	4	natural	natural	JJ
cord-351222-9bfchw4u	55	5	material	material	NN
cord-351222-9bfchw4u	55	6	,	,	,
cord-351222-9bfchw4u	55	7	phytochemical	phytochemical	JJ
cord-351222-9bfchw4u	55	8	analysis	analysis	NN
cord-351222-9bfchw4u	55	9	,	,	,
cord-351222-9bfchw4u	55	10	isolation	isolation	NN
cord-351222-9bfchw4u	55	11	and	and	CC
cord-351222-9bfchw4u	55	12	identification	identification	NN
cord-351222-9bfchw4u	55	13	of	of	IN
cord-351222-9bfchw4u	55	14	the	the	DT
cord-351222-9bfchw4u	55	15	constituents	constituent	NNS
cord-351222-9bfchw4u	55	16	is	be	VBZ
cord-351222-9bfchw4u	55	17	just	just	RB
cord-351222-9bfchw4u	55	18	the	the	DT
cord-351222-9bfchw4u	55	19	basic	basic	JJ
cord-351222-9bfchw4u	55	20	procedure	procedure	NN
cord-351222-9bfchw4u	55	21	.	.	.
cord-351222-9bfchw4u	56	1	A	a	DT
cord-351222-9bfchw4u	56	2	biological	biological	JJ
cord-351222-9bfchw4u	56	3	screening	screening	NN
cord-351222-9bfchw4u	56	4	of	of	IN
cord-351222-9bfchw4u	56	5	extracts	extract	NNS
cord-351222-9bfchw4u	56	6	or	or	CC
cord-351222-9bfchw4u	56	7	even	even	RB
cord-351222-9bfchw4u	56	8	the	the	DT
cord-351222-9bfchw4u	56	9	arbitrary	arbitrary	JJ
cord-351222-9bfchw4u	56	10	testing	testing	NN
cord-351222-9bfchw4u	56	11	of	of	IN
cord-351222-9bfchw4u	56	12	isolated	isolate	VBN
cord-351222-9bfchw4u	56	13	metabolites	metabolite	NNS
cord-351222-9bfchw4u	56	14	is	be	VBZ
cord-351222-9bfchw4u	56	15	feasible	feasible	JJ
cord-351222-9bfchw4u	56	16	and	and	CC
cord-351222-9bfchw4u	56	17	often	often	RB
cord-351222-9bfchw4u	56	18	performed	perform	VBN
cord-351222-9bfchw4u	56	19	,	,	,
cord-351222-9bfchw4u	56	20	though	though	RB
cord-351222-9bfchw4u	56	21	is	be	VBZ
cord-351222-9bfchw4u	56	22	not	not	RB
cord-351222-9bfchw4u	56	23	at	at	RB
cord-351222-9bfchw4u	56	24	all	all	RB
cord-351222-9bfchw4u	56	25	a	a	DT
cord-351222-9bfchw4u	56	26	focused	focused	JJ
cord-351222-9bfchw4u	56	27	procedure	procedure	NN
cord-351222-9bfchw4u	56	28	,	,	,
cord-351222-9bfchw4u	56	29	thus	thus	RB
cord-351222-9bfchw4u	56	30	unpractical	unpractical	JJ
cord-351222-9bfchw4u	56	31	and	and	CC
cord-351222-9bfchw4u	56	32	too	too	RB
cord-351222-9bfchw4u	56	33	expensive	expensive	JJ
cord-351222-9bfchw4u	56	34	.	.	.
cord-351222-9bfchw4u	57	1	The	the	DT
cord-351222-9bfchw4u	57	2	NPs	NPs	NNPS
cord-351222-9bfchw4u	57	3	'	'	POS
cord-351222-9bfchw4u	57	4	diversity	diversity	NN
cord-351222-9bfchw4u	57	5	has	have	VBZ
cord-351222-9bfchw4u	57	6	to	to	TO
cord-351222-9bfchw4u	57	7	be	be	VB
cord-351222-9bfchw4u	57	8	accessed	access	VBN
cord-351222-9bfchw4u	57	9	in	in	IN
cord-351222-9bfchw4u	57	10	a	a	DT
cord-351222-9bfchw4u	57	11	more	more	RBR
cord-351222-9bfchw4u	57	12	rational	rational	JJ
cord-351222-9bfchw4u	57	13	way	way	NN
cord-351222-9bfchw4u	57	14	.	.	.
cord-351222-9bfchw4u	58	1	3	3	CD
cord-351222-9bfchw4u	58	2	Holistic	holistic	JJ
cord-351222-9bfchw4u	58	3	versus	versus	IN
cord-351222-9bfchw4u	58	4	molecular	molecular	JJ
cord-351222-9bfchw4u	58	5	approaches	approach	NNS
cord-351222-9bfchw4u	58	6	in	in	IN
cord-351222-9bfchw4u	58	7	drug	drug	NN
cord-351222-9bfchw4u	58	8	discovery	discovery	NN
cord-351222-9bfchw4u	58	9	from	from	IN
cord-351222-9bfchw4u	58	10	nature	nature	NN
cord-351222-9bfchw4u	58	11	During	during	IN
cord-351222-9bfchw4u	58	12	the	the	DT
cord-351222-9bfchw4u	58	13	last	last	JJ
cord-351222-9bfchw4u	58	14	century	century	NN
cord-351222-9bfchw4u	58	15	and	and	CC
cord-351222-9bfchw4u	58	16	even	even	RB
cord-351222-9bfchw4u	58	17	today	today	NN
cord-351222-9bfchw4u	58	18	the	the	DT
cord-351222-9bfchw4u	58	19	discovery	discovery	NN
cord-351222-9bfchw4u	58	20	of	of	IN
cord-351222-9bfchw4u	58	21	bioactive	bioactive	JJ
cord-351222-9bfchw4u	58	22	NPs	NPs	NNPS
cord-351222-9bfchw4u	58	23	and	and	CC
cord-351222-9bfchw4u	58	24	their	-PRON-	PRP$
cord-351222-9bfchw4u	58	25	development	development	NN
cord-351222-9bfchw4u	58	26	into	into	IN
cord-351222-9bfchw4u	58	27	potential	potential	JJ
cord-351222-9bfchw4u	58	28	drug	drug	NN
cord-351222-9bfchw4u	58	29	candidates	candidate	NNS
cord-351222-9bfchw4u	58	30	are	be	VBP
cord-351222-9bfchw4u	58	31	mainly	mainly	RB
cord-351222-9bfchw4u	58	32	covered	cover	VBN
cord-351222-9bfchw4u	58	33	by	by	IN
cord-351222-9bfchw4u	58	34	a	a	DT
cord-351222-9bfchw4u	58	35	holistic	holistic	JJ
cord-351222-9bfchw4u	58	36	approach	approach	NN
cord-351222-9bfchw4u	58	37	.	.	.
cord-351222-9bfchw4u	59	1	A	a	DT
cord-351222-9bfchw4u	59	2	characteristic	characteristic	JJ
cord-351222-9bfchw4u	59	3	workflow	workflow	NN
cord-351222-9bfchw4u	59	4	of	of	IN
cord-351222-9bfchw4u	59	5	this	this	DT
cord-351222-9bfchw4u	59	6	procedure	procedure	NN
cord-351222-9bfchw4u	59	7	is	be	VBZ
cord-351222-9bfchw4u	59	8	given	give	VBN
cord-351222-9bfchw4u	59	9	in	in	IN
cord-351222-9bfchw4u	59	10	Figure	figure	NN
cord-351222-9bfchw4u	59	11	1	1	CD
cord-351222-9bfchw4u	59	12	.	.	.
cord-351222-9bfchw4u	60	1	Starting	start	VBG
cord-351222-9bfchw4u	60	2	from	from	IN
cord-351222-9bfchw4u	60	3	the	the	DT
cord-351222-9bfchw4u	60	4	knowledge	knowledge	NN
cord-351222-9bfchw4u	60	5	or	or	CC
cord-351222-9bfchw4u	60	6	assumption	assumption	NN
cord-351222-9bfchw4u	60	7	about	about	IN
cord-351222-9bfchw4u	60	8	a	a	DT
cord-351222-9bfchw4u	60	9	biological	biological	JJ
cord-351222-9bfchw4u	60	10	effect	effect	NN
cord-351222-9bfchw4u	60	11	the	the	DT
cord-351222-9bfchw4u	60	12	natural	natural	JJ
cord-351222-9bfchw4u	60	13	material	material	NN
cord-351222-9bfchw4u	60	14	is	be	VBZ
cord-351222-9bfchw4u	60	15	selected	select	VBN
cord-351222-9bfchw4u	60	16	and	and	CC
cord-351222-9bfchw4u	60	17	adequately	adequately	RB
cord-351222-9bfchw4u	60	18	extracted	extract	VBN
cord-351222-9bfchw4u	60	19	.	.	.
cord-351222-9bfchw4u	61	1	If	if	IN
cord-351222-9bfchw4u	61	2	a	a	DT
cord-351222-9bfchw4u	61	3	positive	positive	JJ
cord-351222-9bfchw4u	61	4	effect	effect	NN
cord-351222-9bfchw4u	61	5	in	in	IN
cord-351222-9bfchw4u	61	6	the	the	DT
cord-351222-9bfchw4u	61	7	obtained	obtain	VBN
cord-351222-9bfchw4u	61	8	multi	multi	JJ
cord-351222-9bfchw4u	61	9	-	-	JJ
cord-351222-9bfchw4u	61	10	component	component	JJ
cord-351222-9bfchw4u	61	11	extract	extract	NN
cord-351222-9bfchw4u	61	12	is	be	VBZ
cord-351222-9bfchw4u	61	13	recorded	record	VBN
cord-351222-9bfchw4u	61	14	,	,	,
cord-351222-9bfchw4u	61	15	it	-PRON-	PRP
cord-351222-9bfchw4u	61	16	is	be	VBZ
cord-351222-9bfchw4u	61	17	attempted	attempt	VBN
cord-351222-9bfchw4u	61	18	to	to	TO
cord-351222-9bfchw4u	61	19	trace	trace	VB
cord-351222-9bfchw4u	61	20	it	-PRON-	PRP
cord-351222-9bfchw4u	61	21	back	back	RB
cord-351222-9bfchw4u	61	22	to	to	IN
cord-351222-9bfchw4u	61	23	the	the	DT
cord-351222-9bfchw4u	61	24	active	active	JJ
cord-351222-9bfchw4u	61	25	principle	principle	NN
cord-351222-9bfchw4u	62	1	/s	/s	NNP
cord-351222-9bfchw4u	62	2	by	by	IN
cord-351222-9bfchw4u	62	3	intense	intense	JJ
cord-351222-9bfchw4u	62	4	phytochemical	phytochemical	JJ
cord-351222-9bfchw4u	62	5	and	and	CC
cord-351222-9bfchw4u	62	6	analytical	analytical	JJ
cord-351222-9bfchw4u	62	7	investigations	investigation	NNS
cord-351222-9bfchw4u	63	1	(	(	-LRB-
cord-351222-9bfchw4u	63	2	Fig	Fig	NNP
cord-351222-9bfchw4u	63	3	.	.	NNP
cord-351222-9bfchw4u	63	4	1	1	CD
cord-351222-9bfchw4u	63	5	)	)	-RRB-
cord-351222-9bfchw4u	63	6	.	.	.
cord-351222-9bfchw4u	64	1	This	this	DT
cord-351222-9bfchw4u	64	2	can	can	MD
cord-351222-9bfchw4u	64	3	for	for	IN
cord-351222-9bfchw4u	64	4	instance	instance	NN
cord-351222-9bfchw4u	64	5	be	be	VB
cord-351222-9bfchw4u	64	6	achieved	achieve	VBN
cord-351222-9bfchw4u	64	7	by	by	IN
cord-351222-9bfchw4u	64	8	a	a	DT
cord-351222-9bfchw4u	64	9	bioactivity	bioactivity	NN
cord-351222-9bfchw4u	64	10	-	-	HYPH
cord-351222-9bfchw4u	64	11	guided	guide	VBN
cord-351222-9bfchw4u	64	12	fractionation	fractionation	NN
cord-351222-9bfchw4u	64	13	.	.	.
cord-351222-9bfchw4u	65	1	A	a	DT
cord-351222-9bfchw4u	65	2	more	more	RBR
cord-351222-9bfchw4u	65	3	targeted	target	VBN
cord-351222-9bfchw4u	65	4	approach	approach	NN
cord-351222-9bfchw4u	65	5	focuses	focus	VBZ
cord-351222-9bfchw4u	65	6	on	on	IN
cord-351222-9bfchw4u	65	7	innovative	innovative	JJ
cord-351222-9bfchw4u	65	8	technological	technological	JJ
cord-351222-9bfchw4u	65	9	tools	tool	NNS
cord-351222-9bfchw4u	65	10	combining	combine	VBG
cord-351222-9bfchw4u	65	11	analytical	analytical	JJ
cord-351222-9bfchw4u	65	12	and	and	CC
cord-351222-9bfchw4u	65	13	biological	biological	JJ
cord-351222-9bfchw4u	65	14	information	information	NN
cord-351222-9bfchw4u	65	15	.	.	.
cord-351222-9bfchw4u	66	1	An	an	DT
cord-351222-9bfchw4u	66	2	overview	overview	NN
cord-351222-9bfchw4u	66	3	of	of	IN
cord-351222-9bfchw4u	66	4	recent	recent	JJ
cord-351222-9bfchw4u	66	5	developments	development	NNS
cord-351222-9bfchw4u	66	6	in	in	IN
cord-351222-9bfchw4u	66	7	this	this	DT
cord-351222-9bfchw4u	66	8	area	area	NN
cord-351222-9bfchw4u	66	9	and	and	CC
cord-351222-9bfchw4u	66	10	successful	successful	JJ
cord-351222-9bfchw4u	66	11	examples	example	NNS
cord-351222-9bfchw4u	66	12	thereof	thereof	RB
cord-351222-9bfchw4u	66	13	are	be	VBP
cord-351222-9bfchw4u	66	14	presented	present	VBN
cord-351222-9bfchw4u	66	15	by	by	IN
cord-351222-9bfchw4u	66	16	Potterat	Potterat	NNP
cord-351222-9bfchw4u	66	17	and	and	CC
cord-351222-9bfchw4u	66	18	Hamburger	Hamburger	NNP
cord-351222-9bfchw4u	66	19	[	[	-LRB-
cord-351222-9bfchw4u	66	20	18	18	CD
cord-351222-9bfchw4u	66	21	,	,	,
cord-351222-9bfchw4u	66	22	19	19	CD
cord-351222-9bfchw4u	66	23	]	]	-RRB-
cord-351222-9bfchw4u	66	24	.	.	.
cord-351222-9bfchw4u	67	1	As	as	RB
cord-351222-9bfchw4u	67	2	soon	soon	RB
cord-351222-9bfchw4u	67	3	as	as	IN
cord-351222-9bfchw4u	67	4	the	the	DT
cord-351222-9bfchw4u	67	5	constituent	constituent	NN
cord-351222-9bfchw4u	67	6	regarded	regard	VBD
cord-351222-9bfchw4u	67	7	to	to	TO
cord-351222-9bfchw4u	67	8	be	be	VB
cord-351222-9bfchw4u	67	9	responsible	responsible	JJ
cord-351222-9bfchw4u	67	10	for	for	IN
cord-351222-9bfchw4u	67	11	the	the	DT
cord-351222-9bfchw4u	67	12	overall	overall	JJ
cord-351222-9bfchw4u	67	13	effect	effect	NN
cord-351222-9bfchw4u	67	14	is	be	VBZ
cord-351222-9bfchw4u	67	15	isolated	isolate	VBN
cord-351222-9bfchw4u	67	16	,	,	,
cord-351222-9bfchw4u	67	17	further	further	JJ
cord-351222-9bfchw4u	67	18	research	research	NN
cord-351222-9bfchw4u	67	19	focuses	focus	VBZ
cord-351222-9bfchw4u	67	20	on	on	IN
cord-351222-9bfchw4u	67	21	a	a	DT
cord-351222-9bfchw4u	67	22	molecular	molecular	JJ
cord-351222-9bfchw4u	67	23	level	level	NN
cord-351222-9bfchw4u	67	24	including	include	VBG
cord-351222-9bfchw4u	67	25	structure	structure	NN
cord-351222-9bfchw4u	67	26	elucidation	elucidation	NN
cord-351222-9bfchw4u	67	27	and	and	CC
cord-351222-9bfchw4u	67	28	pharmacological	pharmacological	JJ
cord-351222-9bfchw4u	67	29	profiling	profiling	NN
cord-351222-9bfchw4u	67	30	.	.	.
cord-351222-9bfchw4u	68	1	Synthesis	synthesis	NN
cord-351222-9bfchw4u	68	2	and	and	CC
cord-351222-9bfchw4u	68	3	testing	testing	NN
cord-351222-9bfchw4u	68	4	of	of	IN
cord-351222-9bfchw4u	68	5	series	series	NN
cord-351222-9bfchw4u	68	6	of	of	IN
cord-351222-9bfchw4u	68	7	derivatives	derivative	NNS
cord-351222-9bfchw4u	68	8	enable	enable	VBP
cord-351222-9bfchw4u	68	9	an	an	DT
cord-351222-9bfchw4u	68	10	insight	insight	NN
cord-351222-9bfchw4u	68	11	into	into	IN
cord-351222-9bfchw4u	68	12	a	a	DT
cord-351222-9bfchw4u	68	13	structure	structure	NN
cord-351222-9bfchw4u	68	14	-	-	HYPH
cord-351222-9bfchw4u	68	15	activity	activity	NN
cord-351222-9bfchw4u	68	16	-	-	HYPH
cord-351222-9bfchw4u	68	17	relationship	relationship	NN
cord-351222-9bfchw4u	68	18	and	and	CC
cord-351222-9bfchw4u	68	19	pharmacokinetic	pharmacokinetic	JJ
cord-351222-9bfchw4u	68	20	aspects	aspect	NNS
cord-351222-9bfchw4u	68	21	.	.	.
cord-351222-9bfchw4u	69	1	Finally	finally	RB
cord-351222-9bfchw4u	69	2	,	,	,
cord-351222-9bfchw4u	69	3	potential	potential	JJ
cord-351222-9bfchw4u	69	4	drug	drug	NN
cord-351222-9bfchw4u	69	5	leads	lead	NNS
cord-351222-9bfchw4u	69	6	become	become	VBP
cord-351222-9bfchw4u	69	7	drug	drug	NN
cord-351222-9bfchw4u	69	8	candidates	candidate	NNS
cord-351222-9bfchw4u	69	9	after	after	IN
cord-351222-9bfchw4u	69	10	some	some	DT
cord-351222-9bfchw4u	69	11	intense	intense	JJ
cord-351222-9bfchw4u	69	12	toxicological	toxicological	JJ
cord-351222-9bfchw4u	69	13	studies	study	NNS
cord-351222-9bfchw4u	69	14	and	and	CC
cord-351222-9bfchw4u	69	15	after	after	IN
cord-351222-9bfchw4u	69	16	the	the	DT
cord-351222-9bfchw4u	69	17	verified	verify	VBN
cord-351222-9bfchw4u	69	18	effectiveness	effectiveness	NN
cord-351222-9bfchw4u	69	19	in	in	IN
cord-351222-9bfchw4u	69	20	vivo	vivo	FW
cord-351222-9bfchw4u	69	21	(	(	-LRB-
cord-351222-9bfchw4u	69	22	Fig	Fig	NNP
cord-351222-9bfchw4u	69	23	.	.	.
cord-351222-9bfchw4u	69	24	1	1	CD
cord-351222-9bfchw4u	69	25	)	)	-RRB-
cord-351222-9bfchw4u	69	26	.	.	.
cord-351222-9bfchw4u	70	1	Recent	recent	JJ
cord-351222-9bfchw4u	70	2	advances	advance	NNS
cord-351222-9bfchw4u	70	3	in	in	IN
cord-351222-9bfchw4u	70	4	lead	lead	JJ
cord-351222-9bfchw4u	70	5	identification	identification	NN
cord-351222-9bfchw4u	70	6	from	from	IN
cord-351222-9bfchw4u	70	7	nature	nature	NN
cord-351222-9bfchw4u	70	8	work	work	NN
cord-351222-9bfchw4u	70	9	on	on	IN
cord-351222-9bfchw4u	70	10	a	a	DT
cord-351222-9bfchw4u	70	11	molecular	molecular	JJ
cord-351222-9bfchw4u	70	12	base	base	NN
cord-351222-9bfchw4u	70	13	more	more	RBR
cord-351222-9bfchw4u	70	14	than	than	IN
cord-351222-9bfchw4u	70	15	on	on	IN
cord-351222-9bfchw4u	70	16	a	a	DT
cord-351222-9bfchw4u	70	17	holistic	holistic	JJ
cord-351222-9bfchw4u	70	18	one	one	NN
cord-351222-9bfchw4u	70	19	.	.	.
cord-351222-9bfchw4u	71	1	A	a	DT
cord-351222-9bfchw4u	71	2	first	first	JJ
cord-351222-9bfchw4u	71	3	prerequisite	prerequisite	NN
cord-351222-9bfchw4u	71	4	for	for	IN
cord-351222-9bfchw4u	71	5	that	that	DT
cord-351222-9bfchw4u	71	6	is	be	VBZ
cord-351222-9bfchw4u	71	7	on	on	IN
cord-351222-9bfchw4u	71	8	bioin-	bioin-	NN
cord-351222-9bfchw4u	72	1	Traditional	traditional	JJ
cord-351222-9bfchw4u	72	2	early	early	JJ
cord-351222-9bfchw4u	72	3	drug	drug	NN
cord-351222-9bfchw4u	72	4	development	development	NN
cord-351222-9bfchw4u	72	5	of	of	IN
cord-351222-9bfchw4u	72	6	a	a	DT
cord-351222-9bfchw4u	72	7	nature	nature	NN
cord-351222-9bfchw4u	72	8	based	base	VBN
cord-351222-9bfchw4u	72	9	drug	drug	NN
cord-351222-9bfchw4u	72	10	candidate	candidate	NN
cord-351222-9bfchw4u	72	11	formatics	formatic	NNS
cord-351222-9bfchw4u	72	12	comprising	comprise	VBG
cord-351222-9bfchw4u	72	13	3D	3d	JJ
cord-351222-9bfchw4u	72	14	structures	structure	NNS
cord-351222-9bfchw4u	72	15	from	from	IN
cord-351222-9bfchw4u	72	16	genes	gene	NNS
cord-351222-9bfchw4u	72	17	and	and	CC
cord-351222-9bfchw4u	72	18	proteins	protein	NNS
cord-351222-9bfchw4u	72	19	(	(	-LRB-
cord-351222-9bfchw4u	72	20	bioinformatics	bioinformatics	NNP
cord-351222-9bfchw4u	72	21	)	)	-RRB-
cord-351222-9bfchw4u	72	22	,	,	,
cord-351222-9bfchw4u	72	23	substantial	substantial	JJ
cord-351222-9bfchw4u	72	24	knowledge	knowledge	NN
cord-351222-9bfchw4u	72	25	on	on	IN
cord-351222-9bfchw4u	72	26	molecular	molecular	JJ
cord-351222-9bfchw4u	72	27	target	target	NN
cord-351222-9bfchw4u	72	28	functions	function	NNS
cord-351222-9bfchw4u	72	29	with	with	IN
cord-351222-9bfchw4u	72	30	accurate	accurate	JJ
cord-351222-9bfchw4u	72	31	structural	structural	JJ
cord-351222-9bfchw4u	72	32	information	information	NN
cord-351222-9bfchw4u	72	33	and	and	CC
cord-351222-9bfchw4u	72	34	protein	protein	NN
cord-351222-9bfchw4u	72	35	-	-	HYPH
cord-351222-9bfchw4u	72	36	ligand	ligand	NN
cord-351222-9bfchw4u	72	37	interactions	interaction	NNS
cord-351222-9bfchw4u	72	38	.	.	.
cord-351222-9bfchw4u	73	1	Secondly	secondly	RB
cord-351222-9bfchw4u	73	2	,	,	,
cord-351222-9bfchw4u	73	3	it	-PRON-	PRP
cord-351222-9bfchw4u	73	4	is	be	VBZ
cord-351222-9bfchw4u	73	5	essential	essential	JJ
cord-351222-9bfchw4u	73	6	to	to	TO
cord-351222-9bfchw4u	73	7	refer	refer	VB
cord-351222-9bfchw4u	73	8	to	to	IN
cord-351222-9bfchw4u	73	9	unambiguously	unambiguously	RB
cord-351222-9bfchw4u	73	10	characterized	characterize	VBN
cord-351222-9bfchw4u	73	11	structures	structure	NNS
cord-351222-9bfchw4u	73	12	of	of	IN
cord-351222-9bfchw4u	73	13	secondary	secondary	JJ
cord-351222-9bfchw4u	73	14	metabolites	metabolite	NNS
cord-351222-9bfchw4u	73	15	preferably	preferably	RB
cord-351222-9bfchw4u	73	16	with	with	IN
cord-351222-9bfchw4u	73	17	some	some	DT
cord-351222-9bfchw4u	73	18	information	information	NN
cord-351222-9bfchw4u	73	19	to	to	IN
cord-351222-9bfchw4u	73	20	their	-PRON-	PRP$
cord-351222-9bfchw4u	73	21	biological	biological	JJ
cord-351222-9bfchw4u	73	22	effect	effect	NN
cord-351222-9bfchw4u	73	23	.	.	.
cord-351222-9bfchw4u	74	1	Based	base	VBN
cord-351222-9bfchw4u	74	2	on	on	IN
cord-351222-9bfchw4u	74	3	available	available	JJ
cord-351222-9bfchw4u	74	4	structural	structural	NN
cord-351222-9bfchw4u	74	5	as	as	RB
cord-351222-9bfchw4u	74	6	well	well	RB
cord-351222-9bfchw4u	74	7	as	as	IN
cord-351222-9bfchw4u	74	8	biological	biological	JJ
cord-351222-9bfchw4u	74	9	knowledge	knowledge	NN
cord-351222-9bfchw4u	74	10	from	from	IN
cord-351222-9bfchw4u	74	11	both	both	DT
cord-351222-9bfchw4u	74	12	sides	side	NNS
cord-351222-9bfchw4u	74	13	,	,	,
cord-351222-9bfchw4u	74	14	information	information	NN
cord-351222-9bfchw4u	74	15	can	can	MD
cord-351222-9bfchw4u	74	16	be	be	VB
cord-351222-9bfchw4u	74	17	deduced	deduce	VBN
cord-351222-9bfchw4u	74	18	from	from	IN
cord-351222-9bfchw4u	74	19	chemoinformatics	chemoinformatic	NNS
cord-351222-9bfchw4u	74	20	to	to	TO
cord-351222-9bfchw4u	74	21	bridge	bridge	VB
cord-351222-9bfchw4u	74	22	the	the	DT
cord-351222-9bfchw4u	74	23	gap	gap	NN
cord-351222-9bfchw4u	74	24	between	between	IN
cord-351222-9bfchw4u	74	25	known	know	VBN
cord-351222-9bfchw4u	74	26	ligands	ligand	NNS
cord-351222-9bfchw4u	74	27	and	and	CC
cord-351222-9bfchw4u	74	28	the	the	DT
cord-351222-9bfchw4u	74	29	discovery	discovery	NN
cord-351222-9bfchw4u	74	30	of	of	IN
cord-351222-9bfchw4u	74	31	new	new	JJ
cord-351222-9bfchw4u	74	32	lead	lead	NN
cord-351222-9bfchw4u	74	33	structures	structure	NNS
cord-351222-9bfchw4u	74	34	(	(	-LRB-
cord-351222-9bfchw4u	74	35	Fig	fig	NN
cord-351222-9bfchw4u	74	36	.	.	NNP
cord-351222-9bfchw4u	74	37	2	2	CD
cord-351222-9bfchw4u	74	38	)	)	-RRB-
cord-351222-9bfchw4u	74	39	.	.	.
cord-351222-9bfchw4u	75	1	The	the	DT
cord-351222-9bfchw4u	75	2	increasing	increase	VBG
cord-351222-9bfchw4u	75	3	understanding	understanding	NN
cord-351222-9bfchw4u	75	4	of	of	IN
cord-351222-9bfchw4u	75	5	fundamental	fundamental	JJ
cord-351222-9bfchw4u	75	6	principles	principle	NNS
cord-351222-9bfchw4u	75	7	of	of	IN
cord-351222-9bfchw4u	75	8	protein	protein	NN
cord-351222-9bfchw4u	75	9	-	-	HYPH
cord-351222-9bfchw4u	75	10	ligand	ligand	NN
cord-351222-9bfchw4u	75	11	interactions	interaction	NNS
cord-351222-9bfchw4u	75	12	and	and	CC
cord-351222-9bfchw4u	75	13	the	the	DT
cord-351222-9bfchw4u	75	14	steadily	steadily	RB
cord-351222-9bfchw4u	75	15	growing	grow	VBG
cord-351222-9bfchw4u	75	16	number	number	NN
cord-351222-9bfchw4u	75	17	of	of	IN
cord-351222-9bfchw4u	75	18	3D	3d	JJ
cord-351222-9bfchw4u	75	19	-	-	HYPH
cord-351222-9bfchw4u	75	20	structures	structure	NNS
cord-351222-9bfchw4u	75	21	of	of	IN
cord-351222-9bfchw4u	75	22	potential	potential	NN
cord-351222-9bfchw4u	75	23	and	and	CC
cord-351222-9bfchw4u	75	24	experimentally	experimentally	RB
cord-351222-9bfchw4u	75	25	proved	prove	VBN
cord-351222-9bfchw4u	75	26	ligands	ligand	NNS
cord-351222-9bfchw4u	75	27	provide	provide	VBP
cord-351222-9bfchw4u	75	28	undreamed	undreamed	JJ
cord-351222-9bfchw4u	75	29	of	of	IN
cord-351222-9bfchw4u	75	30	possibilities	possibility	NNS
cord-351222-9bfchw4u	75	31	towards	towards	IN
cord-351222-9bfchw4u	75	32	more	more	RBR
cord-351222-9bfchw4u	75	33	rationalized	rationalized	JJ
cord-351222-9bfchw4u	75	34	concepts	concept	NNS
cord-351222-9bfchw4u	75	35	in	in	IN
cord-351222-9bfchw4u	75	36	drug	drug	NN
cord-351222-9bfchw4u	75	37	discovery	discovery	NN
cord-351222-9bfchw4u	75	38	.	.	.
cord-351222-9bfchw4u	76	1	However	however	RB
cord-351222-9bfchw4u	76	2	,	,	,
cord-351222-9bfchw4u	76	3	too	too	RB
cord-351222-9bfchw4u	76	4	much	much	JJ
cord-351222-9bfchw4u	76	5	is	be	VBZ
cord-351222-9bfchw4u	76	6	expected	expect	VBN
cord-351222-9bfchw4u	76	7	of	of	IN
cord-351222-9bfchw4u	76	8	the	the	DT
cord-351222-9bfchw4u	76	9	human	human	JJ
cord-351222-9bfchw4u	76	10	brain	brain	NN
cord-351222-9bfchw4u	76	11	to	to	TO
cord-351222-9bfchw4u	76	12	profit	profit	NN
cord-351222-9bfchw4u	76	13	from	from	IN
cord-351222-9bfchw4u	76	14	the	the	DT
cord-351222-9bfchw4u	76	15	already	already	RB
cord-351222-9bfchw4u	76	16	published	publish	VBN
cord-351222-9bfchw4u	76	17	information	information	NN
cord-351222-9bfchw4u	76	18	.	.	.
cord-351222-9bfchw4u	77	1	Thus	thus	RB
cord-351222-9bfchw4u	77	2	,	,	,
cord-351222-9bfchw4u	77	3	efficient	efficient	JJ
cord-351222-9bfchw4u	77	4	and	and	CC
cord-351222-9bfchw4u	77	5	effective	effective	JJ
cord-351222-9bfchw4u	77	6	approaches	approach	NNS
cord-351222-9bfchw4u	77	7	benefit	benefit	VBP
cord-351222-9bfchw4u	77	8	from	from	IN
cord-351222-9bfchw4u	77	9	today	today	NN
cord-351222-9bfchw4u	77	10	's	's	POS
cord-351222-9bfchw4u	77	11	knowledge	knowledge	NN
cord-351222-9bfchw4u	77	12	about	about	IN
cord-351222-9bfchw4u	77	13	NPs	NPs	NNP
cord-351222-9bfchw4u	77	14	.	.	.
cord-351222-9bfchw4u	78	1	In	in	IN
cord-351222-9bfchw4u	78	2	the	the	DT
cord-351222-9bfchw4u	78	3	area	area	NN
cord-351222-9bfchw4u	78	4	of	of	IN
cord-351222-9bfchw4u	78	5	medicinal	medicinal	JJ
cord-351222-9bfchw4u	78	6	chemistry	chemistry	NN
cord-351222-9bfchw4u	78	7	,	,	,
cord-351222-9bfchw4u	78	8	computational	computational	JJ
cord-351222-9bfchw4u	78	9	methods	method	NNS
cord-351222-9bfchw4u	78	10	,	,	,
cord-351222-9bfchw4u	78	11	like	like	IN
cord-351222-9bfchw4u	78	12	virtual	virtual	JJ
cord-351222-9bfchw4u	78	13	screening	screening	NN
cord-351222-9bfchw4u	78	14	experiments	experiment	NNS
cord-351222-9bfchw4u	78	15	,	,	,
cord-351222-9bfchw4u	78	16	have	have	VBP
cord-351222-9bfchw4u	78	17	already	already	RB
cord-351222-9bfchw4u	78	18	proved	prove	VBN
cord-351222-9bfchw4u	78	19	to	to	TO
cord-351222-9bfchw4u	78	20	satisfy	satisfy	VB
cord-351222-9bfchw4u	78	21	these	these	DT
cord-351222-9bfchw4u	78	22	requirements	requirement	NNS
cord-351222-9bfchw4u	78	23	.	.	.
cord-351222-9bfchw4u	79	1	They	-PRON-	PRP
cord-351222-9bfchw4u	79	2	are	be	VBP
cord-351222-9bfchw4u	79	3	needed	need	VBN
cord-351222-9bfchw4u	79	4	to	to	TO
cord-351222-9bfchw4u	79	5	exploit	exploit	VB
cord-351222-9bfchw4u	79	6	the	the	DT
cord-351222-9bfchw4u	79	7	available	available	JJ
cord-351222-9bfchw4u	79	8	structural	structural	JJ
cord-351222-9bfchw4u	79	9	information	information	NN
cord-351222-9bfchw4u	79	10	,	,	,
cord-351222-9bfchw4u	79	11	to	to	TO
cord-351222-9bfchw4u	79	12	understand	understand	VB
cord-351222-9bfchw4u	79	13	specific	specific	JJ
cord-351222-9bfchw4u	79	14	molecular	molecular	JJ
cord-351222-9bfchw4u	79	15	recognition	recognition	NN
cord-351222-9bfchw4u	79	16	events	event	NNS
cord-351222-9bfchw4u	79	17	,	,	,
cord-351222-9bfchw4u	79	18	and	and	CC
cord-351222-9bfchw4u	79	19	to	to	TO
cord-351222-9bfchw4u	79	20	clarify	clarify	VB
cord-351222-9bfchw4u	79	21	the	the	DT
cord-351222-9bfchw4u	79	22	function	function	NN
cord-351222-9bfchw4u	79	23	of	of	IN
cord-351222-9bfchw4u	79	24	the	the	DT
cord-351222-9bfchw4u	79	25	target	target	NN
cord-351222-9bfchw4u	79	26	macromolecule	macromolecule	NN
cord-351222-9bfchw4u	79	27	.	.	.
cord-351222-9bfchw4u	80	1	Though	though	IN
cord-351222-9bfchw4u	80	2	rationalized	rationalized	JJ
cord-351222-9bfchw4u	80	3	procedures	procedure	NNS
cord-351222-9bfchw4u	80	4	in	in	IN
cord-351222-9bfchw4u	80	5	the	the	DT
cord-351222-9bfchw4u	80	6	search	search	NN
cord-351222-9bfchw4u	80	7	for	for	IN
cord-351222-9bfchw4u	80	8	bioactive	bioactive	JJ
cord-351222-9bfchw4u	80	9	natural	natural	JJ
cord-351222-9bfchw4u	80	10	products	product	NNS
cord-351222-9bfchw4u	80	11	are	be	VBP
cord-351222-9bfchw4u	80	12	in	in	IN
cord-351222-9bfchw4u	80	13	great	great	JJ
cord-351222-9bfchw4u	80	14	demand	demand	NN
cord-351222-9bfchw4u	80	15	to	to	TO
cord-351222-9bfchw4u	80	16	find	find	VB
cord-351222-9bfchw4u	80	17	the	the	DT
cord-351222-9bfchw4u	80	18	'	'	``
cord-351222-9bfchw4u	80	19	needles	needle	NNS
cord-351222-9bfchw4u	80	20	in	in	IN
cord-351222-9bfchw4u	80	21	a	a	DT
cord-351222-9bfchw4u	80	22	haystack	haystack	NN
cord-351222-9bfchw4u	80	23	'	'	''
cord-351222-9bfchw4u	80	24	,	,	,
cord-351222-9bfchw4u	80	25	computational	computational	JJ
cord-351222-9bfchw4u	80	26	assistance	assistance	NN
cord-351222-9bfchw4u	80	27	could	could	MD
cord-351222-9bfchw4u	80	28	hardly	hardly	RB
cord-351222-9bfchw4u	80	29	break	break	VB
cord-351222-9bfchw4u	80	30	into	into	IN
cord-351222-9bfchw4u	80	31	natural	natural	JJ
cord-351222-9bfchw4u	80	32	product	product	NN
cord-351222-9bfchw4u	80	33	research	research	NN
cord-351222-9bfchw4u	80	34	.	.	.
cord-351222-9bfchw4u	81	1	The	the	DT
cord-351222-9bfchw4u	81	2	common	common	JJ
cord-351222-9bfchw4u	81	3	idea	idea	NN
cord-351222-9bfchw4u	81	4	of	of	IN
cord-351222-9bfchw4u	81	5	all	all	DT
cord-351222-9bfchw4u	81	6	computational	computational	JJ
cord-351222-9bfchw4u	81	7	approaches	approach	NNS
cord-351222-9bfchw4u	81	8	within	within	IN
cord-351222-9bfchw4u	81	9	the	the	DT
cord-351222-9bfchw4u	81	10	early	early	JJ
cord-351222-9bfchw4u	81	11	drug	drug	NN
cord-351222-9bfchw4u	81	12	discovery	discovery	NN
cord-351222-9bfchw4u	81	13	process	process	NN
cord-351222-9bfchw4u	81	14	is	be	VBZ
cord-351222-9bfchw4u	81	15	to	to	IN
cord-351222-9bfchw4u	81	16	mine	-PRON-	PRP
cord-351222-9bfchw4u	81	17	more	more	RBR
cord-351222-9bfchw4u	81	18	or	or	CC
cord-351222-9bfchw4u	81	19	less	less	RBR
cord-351222-9bfchw4u	81	20	large	large	JJ
cord-351222-9bfchw4u	81	21	compound	compound	NN
cord-351222-9bfchw4u	81	22	databases	database	NNS
cord-351222-9bfchw4u	81	23	in	in	IN
cord-351222-9bfchw4u	81	24	silico	silico	NN
cord-351222-9bfchw4u	81	25	and	and	CC
cord-351222-9bfchw4u	81	26	to	to	TO
cord-351222-9bfchw4u	81	27	select	select	VB
cord-351222-9bfchw4u	81	28	a	a	DT
cord-351222-9bfchw4u	81	29	limited	limited	JJ
cord-351222-9bfchw4u	81	30	number	number	NN
cord-351222-9bfchw4u	81	31	of	of	IN
cord-351222-9bfchw4u	81	32	candidates	candidate	NNS
cord-351222-9bfchw4u	81	33	proposed	propose	VBN
cord-351222-9bfchw4u	81	34	to	to	TO
cord-351222-9bfchw4u	81	35	have	have	VB
cord-351222-9bfchw4u	81	36	the	the	DT
cord-351222-9bfchw4u	81	37	desired	desire	VBN
cord-351222-9bfchw4u	81	38	biological	biological	JJ
cord-351222-9bfchw4u	81	39	activity	activity	NN
cord-351222-9bfchw4u	81	40	.	.	.
cord-351222-9bfchw4u	82	1	For	for	IN
cord-351222-9bfchw4u	82	2	this	this	DT
cord-351222-9bfchw4u	82	3	process	process	NN
cord-351222-9bfchw4u	82	4	the	the	DT
cord-351222-9bfchw4u	82	5	term	term	NN
cord-351222-9bfchw4u	82	6	'	'	''
cord-351222-9bfchw4u	82	7	data	datum	NNS
cord-351222-9bfchw4u	82	8	mining	mining	NN
cord-351222-9bfchw4u	82	9	'	'	''
cord-351222-9bfchw4u	82	10	was	be	VBD
cord-351222-9bfchw4u	82	11	coined	coin	VBN
cord-351222-9bfchw4u	82	12	in	in	IN
cord-351222-9bfchw4u	82	13	1996	1996	CD
cord-351222-9bfchw4u	82	14	[	[	-LRB-
cord-351222-9bfchw4u	82	15	20	20	CD
cord-351222-9bfchw4u	82	16	]	]	-RRB-
cord-351222-9bfchw4u	82	17	,	,	,
cord-351222-9bfchw4u	82	18	which	which	WDT
cord-351222-9bfchw4u	82	19	was	be	VBD
cord-351222-9bfchw4u	82	20	concisely	concisely	RB
cord-351222-9bfchw4u	82	21	defined	define	VBN
cord-351222-9bfchw4u	82	22	by	by	IN
cord-351222-9bfchw4u	82	23	Gasteiger	Gasteiger	NNP
cord-351222-9bfchw4u	82	24	and	and	CC
cord-351222-9bfchw4u	82	25	coauthors	coauthor	NNS
cord-351222-9bfchw4u	82	26	:	:	:
cord-351222-9bfchw4u	82	27	'	'	''
cord-351222-9bfchw4u	82	28	to	to	TO
cord-351222-9bfchw4u	82	29	extract	extract	VB
cord-351222-9bfchw4u	82	30	knowledge	knowledge	NN
cord-351222-9bfchw4u	82	31	from	from	IN
cord-351222-9bfchw4u	82	32	a	a	DT
cord-351222-9bfchw4u	82	33	large	large	JJ
cord-351222-9bfchw4u	82	34	set	set	NN
cord-351222-9bfchw4u	82	35	of	of	IN
cord-351222-9bfchw4u	82	36	data	datum	NNS
cord-351222-9bfchw4u	82	37	in	in	IN
cord-351222-9bfchw4u	82	38	order	order	NN
cord-351222-9bfchw4u	82	39	to	to	TO
cord-351222-9bfchw4u	82	40	make	make	VB
cord-351222-9bfchw4u	82	41	predictions	prediction	NNS
cord-351222-9bfchw4u	82	42	of	of	IN
cord-351222-9bfchw4u	82	43	new	new	JJ
cord-351222-9bfchw4u	82	44	events	event	NNS
cord-351222-9bfchw4u	82	45	'	'	POS
cord-351222-9bfchw4u	82	46	[	[	-LRB-
cord-351222-9bfchw4u	82	47	21	21	CD
cord-351222-9bfchw4u	82	48	]	]	-RRB-
cord-351222-9bfchw4u	82	49	.	.	.
cord-351222-9bfchw4u	83	1	Within	within	IN
cord-351222-9bfchw4u	83	2	the	the	DT
cord-351222-9bfchw4u	83	3	lead	lead	JJ
cord-351222-9bfchw4u	83	4	discovery	discovery	NN
cord-351222-9bfchw4u	83	5	process	process	NN
cord-351222-9bfchw4u	83	6	,	,	,
cord-351222-9bfchw4u	83	7	virtual	virtual	JJ
cord-351222-9bfchw4u	83	8	screening	screening	NN
cord-351222-9bfchw4u	83	9	technologies	technology	NNS
cord-351222-9bfchw4u	83	10	have	have	VBP
cord-351222-9bfchw4u	83	11	largely	largely	RB
cord-351222-9bfchw4u	83	12	enhanced	enhance	VBN
cord-351222-9bfchw4u	83	13	the	the	DT
cord-351222-9bfchw4u	83	14	impact	impact	NN
cord-351222-9bfchw4u	83	15	of	of	IN
cord-351222-9bfchw4u	83	16	computational	computational	JJ
cord-351222-9bfchw4u	83	17	chemistry	chemistry	NN
cord-351222-9bfchw4u	83	18	and	and	CC
cord-351222-9bfchw4u	83	19	nowadays	nowadays	RB
cord-351222-9bfchw4u	83	20	chemoinformatics	chemoinformatics	NNP
cord-351222-9bfchw4u	83	21	plays	play	VBZ
cord-351222-9bfchw4u	83	22	a	a	DT
cord-351222-9bfchw4u	83	23	predominant	predominant	JJ
cord-351222-9bfchw4u	83	24	role	role	NN
cord-351222-9bfchw4u	83	25	in	in	IN
cord-351222-9bfchw4u	83	26	early	early	JJ
cord-351222-9bfchw4u	83	27	phase	phase	NN
cord-351222-9bfchw4u	83	28	drug	drug	NN
cord-351222-9bfchw4u	83	29	research	research	NN
cord-351222-9bfchw4u	83	30	[	[	-LRB-
cord-351222-9bfchw4u	83	31	22	22	CD
cord-351222-9bfchw4u	83	32	,	,	,
cord-351222-9bfchw4u	83	33	23	23	CD
cord-351222-9bfchw4u	83	34	]	]	-RRB-
cord-351222-9bfchw4u	83	35	.	.	.
cord-351222-9bfchw4u	84	1	The	the	DT
cord-351222-9bfchw4u	84	2	key	key	JJ
cord-351222-9bfchw4u	84	3	goal	goal	NN
cord-351222-9bfchw4u	84	4	of	of	IN
cord-351222-9bfchw4u	84	5	the	the	DT
cord-351222-9bfchw4u	84	6	use	use	NN
cord-351222-9bfchw4u	84	7	of	of	IN
cord-351222-9bfchw4u	84	8	such	such	JJ
cord-351222-9bfchw4u	84	9	methods	method	NNS
cord-351222-9bfchw4u	84	10	is	be	VBZ
cord-351222-9bfchw4u	84	11	to	to	TO
cord-351222-9bfchw4u	84	12	reduce	reduce	VB
cord-351222-9bfchw4u	84	13	the	the	DT
cord-351222-9bfchw4u	84	14	overall	overall	JJ
cord-351222-9bfchw4u	84	15	cost	cost	NN
cord-351222-9bfchw4u	84	16	associated	associate	VBN
cord-351222-9bfchw4u	84	17	to	to	IN
cord-351222-9bfchw4u	84	18	the	the	DT
cord-351222-9bfchw4u	84	19	discovery	discovery	NN
cord-351222-9bfchw4u	84	20	and	and	CC
cord-351222-9bfchw4u	84	21	development	development	NN
cord-351222-9bfchw4u	84	22	of	of	IN
cord-351222-9bfchw4u	84	23	a	a	DT
cord-351222-9bfchw4u	84	24	new	new	JJ
cord-351222-9bfchw4u	84	25	drug	drug	NN
cord-351222-9bfchw4u	84	26	,	,	,
cord-351222-9bfchw4u	84	27	by	by	IN
cord-351222-9bfchw4u	84	28	identifying	identify	VBG
cord-351222-9bfchw4u	84	29	the	the	DT
cord-351222-9bfchw4u	84	30	most	most	RBS
cord-351222-9bfchw4u	84	31	promising	promising	JJ
cord-351222-9bfchw4u	84	32	candidates	candidate	NNS
cord-351222-9bfchw4u	84	33	to	to	TO
cord-351222-9bfchw4u	84	34	focus	focus	VB
cord-351222-9bfchw4u	84	35	the	the	DT
cord-351222-9bfchw4u	84	36	experimental	experimental	JJ
cord-351222-9bfchw4u	84	37	efforts	effort	NNS
cord-351222-9bfchw4u	84	38	on	on	IN
cord-351222-9bfchw4u	84	39	.	.	.
cord-351222-9bfchw4u	85	1	Recently	recently	RB
cord-351222-9bfchw4u	85	2	published	publish	VBN
cord-351222-9bfchw4u	85	3	books	book	NNS
cord-351222-9bfchw4u	85	4	and	and	CC
cord-351222-9bfchw4u	85	5	reviews	review	NNS
cord-351222-9bfchw4u	85	6	on	on	IN
cord-351222-9bfchw4u	85	7	the	the	DT
cord-351222-9bfchw4u	85	8	impact	impact	NN
cord-351222-9bfchw4u	85	9	of	of	IN
cord-351222-9bfchw4u	85	10	computational	computational	JJ
cord-351222-9bfchw4u	85	11	chemistry	chemistry	NN
cord-351222-9bfchw4u	85	12	for	for	IN
cord-351222-9bfchw4u	85	13	lead	lead	JJ
cord-351222-9bfchw4u	85	14	structure	structure	NN
cord-351222-9bfchw4u	85	15	determination	determination	NN
cord-351222-9bfchw4u	85	16	highlight	highlight	VBP
cord-351222-9bfchw4u	85	17	these	these	DT
cord-351222-9bfchw4u	85	18	efforts	effort	NNS
cord-351222-9bfchw4u	85	19	[	[	-LRB-
cord-351222-9bfchw4u	85	20	24	24	CD
cord-351222-9bfchw4u	85	21	]	]	-RRB-
cord-351222-9bfchw4u	86	1	[	[	-LRB-
cord-351222-9bfchw4u	86	2	25	25	CD
cord-351222-9bfchw4u	86	3	]	]	-RRB-
cord-351222-9bfchw4u	86	4	[	[	-LRB-
cord-351222-9bfchw4u	86	5	26	26	CD
cord-351222-9bfchw4u	86	6	]	]	-RRB-
cord-351222-9bfchw4u	86	7	[	[	-LRB-
cord-351222-9bfchw4u	86	8	27	27	CD
cord-351222-9bfchw4u	86	9	]	]	-RRB-
cord-351222-9bfchw4u	86	10	.	.	.
cord-351222-9bfchw4u	87	1	If	if	IN
cord-351222-9bfchw4u	87	2	the	the	DT
cord-351222-9bfchw4u	87	3	3D	3d	JJ
cord-351222-9bfchw4u	87	4	structure	structure	NN
cord-351222-9bfchw4u	87	5	of	of	IN
cord-351222-9bfchw4u	87	6	the	the	DT
cord-351222-9bfchw4u	87	7	biological	biological	JJ
cord-351222-9bfchw4u	87	8	target	target	NN
cord-351222-9bfchw4u	87	9	is	be	VBZ
cord-351222-9bfchw4u	87	10	known	know	VBN
cord-351222-9bfchw4u	87	11	,	,	,
cord-351222-9bfchw4u	87	12	high	high	JJ
cord-351222-9bfchw4u	87	13	throughput	throughput	NN
cord-351222-9bfchw4u	87	14	docking	docking	NN
cord-351222-9bfchw4u	87	15	turned	turn	VBD
cord-351222-9bfchw4u	87	16	out	out	RP
cord-351222-9bfchw4u	87	17	to	to	TO
cord-351222-9bfchw4u	87	18	be	be	VB
cord-351222-9bfchw4u	87	19	a	a	DT
cord-351222-9bfchw4u	87	20	valuable	valuable	JJ
cord-351222-9bfchw4u	87	21	structure	structure	NN
cord-351222-9bfchw4u	87	22	-	-	HYPH
cord-351222-9bfchw4u	87	23	based	base	VBN
cord-351222-9bfchw4u	87	24	virtual	virtual	JJ
cord-351222-9bfchw4u	87	25	screening	screening	NN
cord-351222-9bfchw4u	87	26	method	method	NN
cord-351222-9bfchw4u	87	27	to	to	TO
cord-351222-9bfchw4u	87	28	be	be	VB
cord-351222-9bfchw4u	87	29	used	use	VBN
cord-351222-9bfchw4u	87	30	[	[	-LRB-
cord-351222-9bfchw4u	87	31	28	28	CD
cord-351222-9bfchw4u	87	32	]	]	-RRB-
cord-351222-9bfchw4u	87	33	[	[	-LRB-
cord-351222-9bfchw4u	87	34	29	29	CD
cord-351222-9bfchw4u	87	35	]	]	-RRB-
cord-351222-9bfchw4u	88	1	[	[	-LRB-
cord-351222-9bfchw4u	88	2	30	30	CD
cord-351222-9bfchw4u	88	3	]	]	-RRB-
cord-351222-9bfchw4u	88	4	[	[	-LRB-
cord-351222-9bfchw4u	88	5	31	31	CD
cord-351222-9bfchw4u	88	6	]	]	-RRB-
cord-351222-9bfchw4u	88	7	.	.	.
cord-351222-9bfchw4u	89	1	Within	within	IN
cord-351222-9bfchw4u	89	2	this	this	DT
cord-351222-9bfchw4u	89	3	context	context	NN
cord-351222-9bfchw4u	89	4	,	,	,
cord-351222-9bfchw4u	89	5	the	the	DT
cord-351222-9bfchw4u	89	6	scoring	scoring	NN
cord-351222-9bfchw4u	89	7	of	of	IN
cord-351222-9bfchw4u	89	8	hits	hit	NNS
cord-351222-9bfchw4u	89	9	retrieved	retrieve	VBN
cord-351222-9bfchw4u	89	10	still	still	RB
cord-351222-9bfchw4u	89	11	remains	remain	VBZ
cord-351222-9bfchw4u	89	12	a	a	DT
cord-351222-9bfchw4u	89	13	question	question	NN
cord-351222-9bfchw4u	89	14	that	that	WDT
cord-351222-9bfchw4u	89	15	is	be	VBZ
cord-351222-9bfchw4u	89	16	often	often	RB
cord-351222-9bfchw4u	89	17	discussed	discuss	VBN
cord-351222-9bfchw4u	89	18	.	.	.
cord-351222-9bfchw4u	90	1	In	in	IN
cord-351222-9bfchw4u	90	2	fact	fact	NN
cord-351222-9bfchw4u	90	3	,	,	,
cord-351222-9bfchw4u	90	4	currently	currently	RB
cord-351222-9bfchw4u	90	5	the	the	DT
cord-351222-9bfchw4u	90	6	major	major	JJ
cord-351222-9bfchw4u	90	7	weakness	weakness	NN
cord-351222-9bfchw4u	90	8	of	of	IN
cord-351222-9bfchw4u	90	9	docking	docking	NN
cord-351222-9bfchw4u	90	10	programs	program	NNS
cord-351222-9bfchw4u	90	11	lies	lie	VBZ
cord-351222-9bfchw4u	90	12	not	not	RB
cord-351222-9bfchw4u	90	13	in	in	IN
cord-351222-9bfchw4u	90	14	the	the	DT
cord-351222-9bfchw4u	90	15	docking	docking	NN
cord-351222-9bfchw4u	90	16	algorithms	algorithm	NNS
cord-351222-9bfchw4u	90	17	themselves	-PRON-	PRP
cord-351222-9bfchw4u	90	18	but	but	CC
cord-351222-9bfchw4u	90	19	still	still	RB
cord-351222-9bfchw4u	90	20	in	in	IN
cord-351222-9bfchw4u	90	21	the	the	DT
cord-351222-9bfchw4u	90	22	inaccuracy	inaccuracy	NN
cord-351222-9bfchw4u	90	23	of	of	IN
cord-351222-9bfchw4u	90	24	the	the	DT
cord-351222-9bfchw4u	90	25	functions	function	NNS
cord-351222-9bfchw4u	90	26	that	that	WDT
cord-351222-9bfchw4u	90	27	are	be	VBP
cord-351222-9bfchw4u	90	28	used	use	VBN
cord-351222-9bfchw4u	90	29	to	to	TO
cord-351222-9bfchw4u	90	30	estimate	estimate	VB
cord-351222-9bfchw4u	90	31	the	the	DT
cord-351222-9bfchw4u	90	32	affinity	affinity	NN
cord-351222-9bfchw4u	90	33	between	between	IN
cord-351222-9bfchw4u	90	34	ligand	ligand	NN
cord-351222-9bfchw4u	90	35	and	and	CC
cord-351222-9bfchw4u	90	36	target	target	NN
cord-351222-9bfchw4u	90	37	,	,	,
cord-351222-9bfchw4u	90	38	the	the	DT
cord-351222-9bfchw4u	90	39	so	so	RB
cord-351222-9bfchw4u	90	40	-	-	HYPH
cord-351222-9bfchw4u	90	41	called	call	VBN
cord-351222-9bfchw4u	90	42	scoring	scoring	NN
cord-351222-9bfchw4u	90	43	functions	function	NNS
cord-351222-9bfchw4u	90	44	.	.	.
cord-351222-9bfchw4u	91	1	Previously	previously	RB
cord-351222-9bfchw4u	91	2	,	,	,
cord-351222-9bfchw4u	91	3	Stahl	Stahl	NNP
cord-351222-9bfchw4u	91	4	and	and	CC
cord-351222-9bfchw4u	91	5	Rarey	Rarey	NNP
cord-351222-9bfchw4u	91	6	analyzed	analyze	VBD
cord-351222-9bfchw4u	91	7	scoring	scoring	NN
cord-351222-9bfchw4u	91	8	functions	function	NNS
cord-351222-9bfchw4u	91	9	for	for	IN
cord-351222-9bfchw4u	91	10	virtual	virtual	JJ
cord-351222-9bfchw4u	91	11	screening	screening	NN
cord-351222-9bfchw4u	91	12	[	[	-LRB-
cord-351222-9bfchw4u	91	13	32	32	CD
cord-351222-9bfchw4u	91	14	]	]	-RRB-
cord-351222-9bfchw4u	91	15	,	,	,
cord-351222-9bfchw4u	91	16	giving	give	VBG
cord-351222-9bfchw4u	91	17	valuable	valuable	JJ
cord-351222-9bfchw4u	91	18	insight	insight	NN
cord-351222-9bfchw4u	91	19	into	into	IN
cord-351222-9bfchw4u	91	20	strengths	strength	NNS
cord-351222-9bfchw4u	91	21	and	and	CC
cord-351222-9bfchw4u	91	22	weaknesses	weakness	NNS
cord-351222-9bfchw4u	91	23	of	of	IN
cord-351222-9bfchw4u	91	24	currently	currently	RB
cord-351222-9bfchw4u	91	25	used	use	VBN
cord-351222-9bfchw4u	91	26	models	model	NNS
cord-351222-9bfchw4u	91	27	for	for	IN
cord-351222-9bfchw4u	91	28	affinity	affinity	NN
cord-351222-9bfchw4u	91	29	estimation	estimation	NN
cord-351222-9bfchw4u	91	30	.	.	.
cord-351222-9bfchw4u	92	1	The	the	DT
cord-351222-9bfchw4u	92	2	combination	combination	NN
cord-351222-9bfchw4u	92	3	of	of	IN
cord-351222-9bfchw4u	92	4	several	several	JJ
cord-351222-9bfchw4u	92	5	different	different	JJ
cord-351222-9bfchw4u	92	6	scoring	scoring	NN
cord-351222-9bfchw4u	92	7	functions	function	NNS
cord-351222-9bfchw4u	92	8	termed	term	VBN
cord-351222-9bfchw4u	92	9	as	as	IN
cord-351222-9bfchw4u	92	10	consensus	consensus	NN
cord-351222-9bfchw4u	92	11	scoring	scoring	NN
cord-351222-9bfchw4u	92	12	turns	turn	VBZ
cord-351222-9bfchw4u	92	13	out	out	RP
cord-351222-9bfchw4u	92	14	to	to	TO
cord-351222-9bfchw4u	92	15	be	be	VB
cord-351222-9bfchw4u	92	16	one	one	CD
cord-351222-9bfchw4u	92	17	of	of	IN
cord-351222-9bfchw4u	92	18	the	the	DT
cord-351222-9bfchw4u	92	19	possible	possible	JJ
cord-351222-9bfchw4u	92	20	answers	answer	NNS
cord-351222-9bfchw4u	92	21	to	to	IN
cord-351222-9bfchw4u	92	22	the	the	DT
cord-351222-9bfchw4u	92	23	question	question	NN
cord-351222-9bfchw4u	92	24	raised	raise	VBN
cord-351222-9bfchw4u	92	25	previously	previously	RB
cord-351222-9bfchw4u	92	26	.	.	.
cord-351222-9bfchw4u	93	1	In	in	IN
cord-351222-9bfchw4u	93	2	fact	fact	NN
cord-351222-9bfchw4u	93	3	,	,	,
cord-351222-9bfchw4u	93	4	several	several	JJ
cord-351222-9bfchw4u	93	5	authors	author	NNS
cord-351222-9bfchw4u	93	6	recently	recently	RB
cord-351222-9bfchw4u	93	7	described	describe	VBD
cord-351222-9bfchw4u	93	8	their	-PRON-	PRP$
cord-351222-9bfchw4u	93	9	efforts	effort	NNS
cord-351222-9bfchw4u	93	10	in	in	IN
cord-351222-9bfchw4u	93	11	this	this	DT
cord-351222-9bfchw4u	93	12	area	area	NN
cord-351222-9bfchw4u	93	13	;	;	:
cord-351222-9bfchw4u	93	14	an	an	DT
cord-351222-9bfchw4u	93	15	example	example	NN
cord-351222-9bfchw4u	93	16	is	be	VBZ
cord-351222-9bfchw4u	93	17	given	give	VBN
cord-351222-9bfchw4u	93	18	in	in	IN
cord-351222-9bfchw4u	93	19	reference	reference	NN
cord-351222-9bfchw4u	93	20	[	[	-LRB-
cord-351222-9bfchw4u	93	21	33	33	CD
cord-351222-9bfchw4u	93	22	]	]	-RRB-
cord-351222-9bfchw4u	93	23	.	.	.
cord-351222-9bfchw4u	94	1	In	in	IN
cord-351222-9bfchw4u	94	2	a	a	DT
cord-351222-9bfchw4u	94	3	theoretical	theoretical	JJ
cord-351222-9bfchw4u	94	4	study	study	NN
cord-351222-9bfchw4u	94	5	,	,	,
cord-351222-9bfchw4u	94	6	other	other	JJ
cord-351222-9bfchw4u	94	7	authors	author	NNS
cord-351222-9bfchw4u	94	8	demonstrate	demonstrate	VBP
cord-351222-9bfchw4u	94	9	that	that	IN
cord-351222-9bfchw4u	94	10	consensus	consensus	NN
cord-351222-9bfchw4u	94	11	scoring	scoring	NN
cord-351222-9bfchw4u	94	12	outperforms	outperform	VBZ
cord-351222-9bfchw4u	94	13	any	any	DT
cord-351222-9bfchw4u	94	14	single	single	JJ
cord-351222-9bfchw4u	94	15	scoring	scoring	NN
cord-351222-9bfchw4u	94	16	for	for	IN
cord-351222-9bfchw4u	94	17	simple	simple	JJ
cord-351222-9bfchw4u	94	18	statistical	statistical	JJ
cord-351222-9bfchw4u	94	19	reasons	reason	NNS
cord-351222-9bfchw4u	94	20	and	and	CC
cord-351222-9bfchw4u	94	21	that	that	IN
cord-351222-9bfchw4u	94	22	a	a	DT
cord-351222-9bfchw4u	94	23	moderate	moderate	JJ
cord-351222-9bfchw4u	94	24	number	number	NN
cord-351222-9bfchw4u	94	25	of	of	IN
cord-351222-9bfchw4u	94	26	scoring	scoring	NN
cord-351222-9bfchw4u	94	27	functions	function	NNS
cord-351222-9bfchw4u	94	28	(	(	-LRB-
cord-351222-9bfchw4u	94	29	i.e.	i.e.	FW
cord-351222-9bfchw4u	94	30	,	,	,
cord-351222-9bfchw4u	94	31	three	three	CD
cord-351222-9bfchw4u	94	32	or	or	CC
cord-351222-9bfchw4u	94	33	four	four	CD
cord-351222-9bfchw4u	94	34	)	)	-RRB-
cord-351222-9bfchw4u	94	35	are	be	VBP
cord-351222-9bfchw4u	94	36	sufficient	sufficient	JJ
cord-351222-9bfchw4u	94	37	for	for	IN
cord-351222-9bfchw4u	94	38	the	the	DT
cord-351222-9bfchw4u	94	39	purpose	purpose	NN
cord-351222-9bfchw4u	94	40	of	of	IN
cord-351222-9bfchw4u	94	41	consensus	consensus	NN
cord-351222-9bfchw4u	94	42	scoring	score	VBG
cord-351222-9bfchw4u	94	43	[	[	-LRB-
cord-351222-9bfchw4u	94	44	34	34	CD
cord-351222-9bfchw4u	94	45	]	]	-RRB-
cord-351222-9bfchw4u	94	46	.	.	.
cord-351222-9bfchw4u	95	1	However	however	RB
cord-351222-9bfchw4u	95	2	,	,	,
cord-351222-9bfchw4u	95	3	it	-PRON-	PRP
cord-351222-9bfchw4u	95	4	has	have	VBZ
cord-351222-9bfchw4u	95	5	been	be	VBN
cord-351222-9bfchw4u	95	6	shown	show	VBN
cord-351222-9bfchw4u	95	7	that	that	IN
cord-351222-9bfchw4u	95	8	consensus	consensus	NN
cord-351222-9bfchw4u	95	9	scoring	score	VBG
cord-351222-9bfchw4u	95	10	alone	alone	RB
cord-351222-9bfchw4u	95	11	is	be	VBZ
cord-351222-9bfchw4u	95	12	not	not	RB
cord-351222-9bfchw4u	95	13	suitable	suitable	JJ
cord-351222-9bfchw4u	95	14	for	for	IN
cord-351222-9bfchw4u	95	15	all	all	DT
cord-351222-9bfchw4u	95	16	cases	case	NNS
cord-351222-9bfchw4u	95	17	of	of	IN
cord-351222-9bfchw4u	95	18	docking	docking	NN
cord-351222-9bfchw4u	95	19	,	,	,
cord-351222-9bfchw4u	95	20	and	and	CC
cord-351222-9bfchw4u	95	21	,	,	,
cord-351222-9bfchw4u	95	22	as	as	IN
cord-351222-9bfchw4u	95	23	highlighted	highlight	VBN
cord-351222-9bfchw4u	95	24	in	in	IN
cord-351222-9bfchw4u	95	25	a	a	DT
cord-351222-9bfchw4u	95	26	recent	recent	JJ
cord-351222-9bfchw4u	95	27	review	review	NN
cord-351222-9bfchw4u	95	28	by	by	IN
cord-351222-9bfchw4u	95	29	Krovat	Krovat	NNP
cord-351222-9bfchw4u	95	30	and	and	CC
cord-351222-9bfchw4u	95	31	co	co	NNS
cord-351222-9bfchw4u	95	32	-	-	NNS
cord-351222-9bfchw4u	95	33	authors	author	NNS
cord-351222-9bfchw4u	95	34	,	,	,
cord-351222-9bfchw4u	95	35	considerable	considerable	JJ
cord-351222-9bfchw4u	95	36	efforts	effort	NNS
cord-351222-9bfchw4u	95	37	are	be	VBP
cord-351222-9bfchw4u	95	38	still	still	RB
cord-351222-9bfchw4u	95	39	devoted	devoted	JJ
cord-351222-9bfchw4u	95	40	to	to	IN
cord-351222-9bfchw4u	95	41	the	the	DT
cord-351222-9bfchw4u	95	42	optimization	optimization	NN
cord-351222-9bfchw4u	95	43	of	of	IN
cord-351222-9bfchw4u	95	44	scoring	scoring	NN
cord-351222-9bfchw4u	95	45	functions	function	NNS
cord-351222-9bfchw4u	95	46	[	[	-LRB-
cord-351222-9bfchw4u	95	47	28	28	CD
cord-351222-9bfchw4u	95	48	]	]	-RRB-
cord-351222-9bfchw4u	95	49	.	.	.
cord-351222-9bfchw4u	96	1	Because	because	IN
cord-351222-9bfchw4u	96	2	of	of	IN
cord-351222-9bfchw4u	96	3	the	the	DT
cord-351222-9bfchw4u	96	4	restricted	restrict	VBN
cord-351222-9bfchw4u	96	5	free	free	JJ
cord-351222-9bfchw4u	96	6	access	access	NN
cord-351222-9bfchw4u	96	7	to	to	IN
cord-351222-9bfchw4u	96	8	NP	NP	NNP
cord-351222-9bfchw4u	96	9	3D	3D	NNP
cord-351222-9bfchw4u	96	10	libraries	library	NNS
cord-351222-9bfchw4u	96	11	(	(	-LRB-
cord-351222-9bfchw4u	96	12	see	see	VB
cord-351222-9bfchw4u	96	13	below	below	RB
cord-351222-9bfchw4u	96	14	)	)	-RRB-
cord-351222-9bfchw4u	96	15	,	,	,
cord-351222-9bfchw4u	96	16	the	the	DT
cord-351222-9bfchw4u	96	17	number	number	NN
cord-351222-9bfchw4u	96	18	of	of	IN
cord-351222-9bfchw4u	96	19	virtual	virtual	JJ
cord-351222-9bfchw4u	96	20	screening	screening	NN
cord-351222-9bfchw4u	96	21	studies	study	NNS
cord-351222-9bfchw4u	96	22	published	publish	VBN
cord-351222-9bfchw4u	96	23	for	for	IN
cord-351222-9bfchw4u	96	24	the	the	DT
cord-351222-9bfchw4u	96	25	rational	rational	JJ
cord-351222-9bfchw4u	96	26	access	access	NN
cord-351222-9bfchw4u	96	27	to	to	IN
cord-351222-9bfchw4u	96	28	bioactive	bioactive	JJ
cord-351222-9bfchw4u	96	29	NPs	NPs	NNPS
cord-351222-9bfchw4u	96	30	is	be	VBZ
cord-351222-9bfchw4u	96	31	limited	limit	VBN
cord-351222-9bfchw4u	96	32	.	.	.
cord-351222-9bfchw4u	97	1	Some	some	DT
cord-351222-9bfchw4u	97	2	examples	example	NNS
cord-351222-9bfchw4u	97	3	using	use	VBG
cord-351222-9bfchw4u	97	4	high	high	JJ
cord-351222-9bfchw4u	97	5	throughput	throughput	NN
cord-351222-9bfchw4u	97	6	docking	docking	NN
cord-351222-9bfchw4u	97	7	as	as	IN
cord-351222-9bfchw4u	97	8	a	a	DT
cord-351222-9bfchw4u	97	9	structure	structure	NN
cord-351222-9bfchw4u	97	10	-	-	HYPH
cord-351222-9bfchw4u	97	11	based	base	VBN
cord-351222-9bfchw4u	97	12	virtual	virtual	JJ
cord-351222-9bfchw4u	97	13	screening	screening	NN
cord-351222-9bfchw4u	97	14	tool	tool	NN
cord-351222-9bfchw4u	97	15	will	will	MD
cord-351222-9bfchw4u	97	16	be	be	VB
cord-351222-9bfchw4u	97	17	given	give	VBN
cord-351222-9bfchw4u	97	18	here	here	RB
cord-351222-9bfchw4u	97	19	:	:	:
cord-351222-9bfchw4u	97	20	Liu	Liu	NNP
cord-351222-9bfchw4u	97	21	and	and	CC
cord-351222-9bfchw4u	97	22	Zhou	Zhou	NNP
cord-351222-9bfchw4u	97	23	applied	apply	VBD
cord-351222-9bfchw4u	97	24	a	a	DT
cord-351222-9bfchw4u	97	25	theoretical	theoretical	JJ
cord-351222-9bfchw4u	97	26	approach	approach	NN
cord-351222-9bfchw4u	97	27	to	to	TO
cord-351222-9bfchw4u	97	28	find	find	VB
cord-351222-9bfchw4u	97	29	natural	natural	JJ
cord-351222-9bfchw4u	97	30	ligands	ligand	NNS
cord-351222-9bfchw4u	97	31	as	as	IN
cord-351222-9bfchw4u	97	32	potential	potential	JJ
cord-351222-9bfchw4u	97	33	inhibitors	inhibitor	NNS
cord-351222-9bfchw4u	97	34	of	of	IN
cord-351222-9bfchw4u	97	35	the	the	DT
cord-351222-9bfchw4u	97	36	SARS	SARS	NNP
cord-351222-9bfchw4u	97	37	-	-	HYPH
cord-351222-9bfchw4u	97	38	CoV	CoV	NNP
cord-351222-9bfchw4u	97	39	protease	protease	NN
cord-351222-9bfchw4u	97	40	,	,	,
cord-351222-9bfchw4u	97	41	a	a	DT
cord-351222-9bfchw4u	97	42	virus	virus	NN
cord-351222-9bfchw4u	97	43	target	target	NN
cord-351222-9bfchw4u	97	44	of	of	IN
cord-351222-9bfchw4u	97	45	the	the	DT
cord-351222-9bfchw4u	97	46	severe	severe	JJ
cord-351222-9bfchw4u	97	47	acute	acute	JJ
cord-351222-9bfchw4u	97	48	respiratory	respiratory	JJ
cord-351222-9bfchw4u	97	49	syndrome	syndrome	NN
cord-351222-9bfchw4u	97	50	[	[	-LRB-
cord-351222-9bfchw4u	97	51	35	35	CD
cord-351222-9bfchw4u	97	52	]	]	-RRB-
cord-351222-9bfchw4u	97	53	.	.	.
cord-351222-9bfchw4u	98	1	They	-PRON-	PRP
cord-351222-9bfchw4u	98	2	used	use	VBD
cord-351222-9bfchw4u	98	3	a	a	DT
cord-351222-9bfchw4u	98	4	docking	docking	NN
cord-351222-9bfchw4u	98	5	-	-	HYPH
cord-351222-9bfchw4u	98	6	based	base	VBN
cord-351222-9bfchw4u	98	7	virtual	virtual	JJ
cord-351222-9bfchw4u	98	8	screening	screening	NN
cord-351222-9bfchw4u	98	9	cycle	cycle	NN
cord-351222-9bfchw4u	98	10	and	and	CC
cord-351222-9bfchw4u	98	11	applied	apply	VBN
cord-351222-9bfchw4u	98	12	drug	drug	NN
cord-351222-9bfchw4u	98	13	-	-	HYPH
cord-351222-9bfchw4u	98	14	like	like	JJ
cord-351222-9bfchw4u	98	15	filters	filter	NNS
cord-351222-9bfchw4u	98	16	to	to	TO
cord-351222-9bfchw4u	98	17	finally	finally	RB
cord-351222-9bfchw4u	98	18	propose	propose	VB
cord-351222-9bfchw4u	98	19	18	18	CD
cord-351222-9bfchw4u	98	20	drug	drug	NN
cord-351222-9bfchw4u	98	21	candidates	candidate	NNS
cord-351222-9bfchw4u	98	22	out	out	IN
cord-351222-9bfchw4u	98	23	of	of	IN
cord-351222-9bfchw4u	98	24	two	two	CD
cord-351222-9bfchw4u	98	25	3D	3d	JJ
cord-351222-9bfchw4u	98	26	databases	database	NNS
cord-351222-9bfchw4u	98	27	comprising	comprise	VBG
cord-351222-9bfchw4u	98	28	metabolites	metabolite	NNS
cord-351222-9bfchw4u	98	29	from	from	IN
cord-351222-9bfchw4u	98	30	marine	marine	JJ
cord-351222-9bfchw4u	98	31	organism	organism	NN
cord-351222-9bfchw4u	98	32	and	and	CC
cord-351222-9bfchw4u	98	33	compounds	compound	NNS
cord-351222-9bfchw4u	98	34	from	from	IN
cord-351222-9bfchw4u	98	35	traditional	traditional	JJ
cord-351222-9bfchw4u	98	36	Chinese	chinese	JJ
cord-351222-9bfchw4u	98	37	Medicine	medicine	NN
cord-351222-9bfchw4u	98	38	.	.	.
cord-351222-9bfchw4u	99	1	The	the	DT
cord-351222-9bfchw4u	99	2	same	same	JJ
cord-351222-9bfchw4u	99	3	virus	virus	NN
cord-351222-9bfchw4u	99	4	organism	organism	NN
cord-351222-9bfchw4u	99	5	was	be	VBD
cord-351222-9bfchw4u	99	6	the	the	DT
cord-351222-9bfchw4u	99	7	main	main	JJ
cord-351222-9bfchw4u	99	8	interest	interest	NN
cord-351222-9bfchw4u	99	9	in	in	IN
cord-351222-9bfchw4u	99	10	the	the	DT
cord-351222-9bfchw4u	99	11	study	study	NN
cord-351222-9bfchw4u	99	12	performed	perform	VBN
cord-351222-9bfchw4u	99	13	by	by	IN
cord-351222-9bfchw4u	99	14	Toney	Toney	NNP
cord-351222-9bfchw4u	99	15	et	et	NNP
cord-351222-9bfchw4u	99	16	al	al	NNP
cord-351222-9bfchw4u	99	17	.	.	NNP
cord-351222-9bfchw4u	99	18	,	,	,
cord-351222-9bfchw4u	99	19	who	who	WP
cord-351222-9bfchw4u	99	20	focused	focus	VBD
cord-351222-9bfchw4u	99	21	on	on	IN
cord-351222-9bfchw4u	99	22	its	-PRON-	PRP$
cord-351222-9bfchw4u	99	23	main	main	JJ
cord-351222-9bfchw4u	99	24	proteinase	proteinase	NN
cord-351222-9bfchw4u	99	25	,	,	,
cord-351222-9bfchw4u	99	26	3CLpro	3clpro	CD
cord-351222-9bfchw4u	99	27	.	.	.
cord-351222-9bfchw4u	100	1	The	the	DT
cord-351222-9bfchw4u	100	2	crystal	crystal	JJ
cord-351222-9bfchw4u	100	3	structure	structure	NN
cord-351222-9bfchw4u	100	4	of	of	IN
cord-351222-9bfchw4u	100	5	this	this	DT
cord-351222-9bfchw4u	100	6	attractive	attractive	JJ
cord-351222-9bfchw4u	100	7	target	target	NN
cord-351222-9bfchw4u	100	8	was	be	VBD
cord-351222-9bfchw4u	100	9	used	use	VBN
cord-351222-9bfchw4u	100	10	as	as	IN
cord-351222-9bfchw4u	100	11	the	the	DT
cord-351222-9bfchw4u	100	12	starting	starting	NN
cord-351222-9bfchw4u	100	13	point	point	NN
cord-351222-9bfchw4u	100	14	for	for	IN
cord-351222-9bfchw4u	100	15	the	the	DT
cord-351222-9bfchw4u	100	16	virtual	virtual	JJ
cord-351222-9bfchw4u	100	17	docking	docking	NN
cord-351222-9bfchw4u	100	18	screening	screening	NN
cord-351222-9bfchw4u	100	19	of	of	IN
cord-351222-9bfchw4u	100	20	the	the	DT
cord-351222-9bfchw4u	100	21	NCI	NCI	NNP
cord-351222-9bfchw4u	100	22	database	database	NN
cord-351222-9bfchw4u	100	23	.	.	.
cord-351222-9bfchw4u	101	1	Searching	search	VBG
cord-351222-9bfchw4u	101	2	for	for	IN
cord-351222-9bfchw4u	101	3	non	non	JJ
cord-351222-9bfchw4u	101	4	-	-	JJ
cord-351222-9bfchw4u	101	5	peptidyl	peptidyl	JJ
cord-351222-9bfchw4u	101	6	inhibitors	inhibitor	NNS
cord-351222-9bfchw4u	101	7	,	,	,
cord-351222-9bfchw4u	101	8	the	the	DT
cord-351222-9bfchw4u	101	9	authors	author	NNS
cord-351222-9bfchw4u	101	10	identified	identify	VBD
cord-351222-9bfchw4u	101	11	the	the	DT
cord-351222-9bfchw4u	101	12	naturally	naturally	RB
cord-351222-9bfchw4u	101	13	occurring	occur	VBG
cord-351222-9bfchw4u	101	14	terpenoid	terpenoid	NN
cord-351222-9bfchw4u	101	15	alkaloid	alkaloid	NN
cord-351222-9bfchw4u	101	16	sabadinine	sabadinine	NNP
cord-351222-9bfchw4u	101	17	(	(	-LRB-
cord-351222-9bfchw4u	101	18	i.e.	i.e.	FW
cord-351222-9bfchw4u	101	19	,	,	,
cord-351222-9bfchw4u	101	20	cevine	cevine	NN
cord-351222-9bfchw4u	101	21	;	;	:
cord-351222-9bfchw4u	101	22	1	1	LS
cord-351222-9bfchw4u	101	23	)	)	-RRB-
cord-351222-9bfchw4u	101	24	as	as	IN
cord-351222-9bfchw4u	101	25	potential	potential	JJ
cord-351222-9bfchw4u	101	26	anti	anti	JJ
cord-351222-9bfchw4u	101	27	-	-	JJ
cord-351222-9bfchw4u	101	28	SARS	SARS	NNP
cord-351222-9bfchw4u	101	29	agent	agent	NN
cord-351222-9bfchw4u	101	30	[	[	-LRB-
cord-351222-9bfchw4u	101	31	36	36	CD
cord-351222-9bfchw4u	101	32	]	]	-RRB-
cord-351222-9bfchw4u	101	33	.	.	.
cord-351222-9bfchw4u	102	1	The	the	DT
cord-351222-9bfchw4u	102	2	author	author	NN
cord-351222-9bfchw4u	102	3	group	group	NN
cord-351222-9bfchw4u	102	4	around	around	IN
cord-351222-9bfchw4u	102	5	Stefano	Stefano	NNP
cord-351222-9bfchw4u	102	6	Moro	Moro	NNP
cord-351222-9bfchw4u	102	7	could	could	MD
cord-351222-9bfchw4u	102	8	identify	identify	VB
cord-351222-9bfchw4u	102	9	ellagic	ellagic	JJ
cord-351222-9bfchw4u	102	10	acid	acid	NN
cord-351222-9bfchw4u	102	11	(	(	-LRB-
cord-351222-9bfchw4u	102	12	2	2	CD
cord-351222-9bfchw4u	102	13	)	)	-RRB-
cord-351222-9bfchw4u	102	14	as	as	IN
cord-351222-9bfchw4u	102	15	inhibitor	inhibitor	NN
cord-351222-9bfchw4u	102	16	of	of	IN
cord-351222-9bfchw4u	102	17	the	the	DT
cord-351222-9bfchw4u	102	18	protein	protein	NN
cord-351222-9bfchw4u	102	19	kinase	kinase	NN
cord-351222-9bfchw4u	102	20	CK2	CK2	NNP
cord-351222-9bfchw4u	102	21	screening	screen	VBG
cord-351222-9bfchw4u	102	22	an	an	DT
cord-351222-9bfchw4u	103	1	in	in	IN
cord-351222-9bfchw4u	103	2	-	-	HYPH
cord-351222-9bfchw4u	103	3	house	house	NN
cord-351222-9bfchw4u	103	4	generated	generate	VBN
cord-351222-9bfchw4u	103	5	database	database	NN
cord-351222-9bfchw4u	103	6	with	with	IN
cord-351222-9bfchw4u	103	7	almost	almost	RB
cord-351222-9bfchw4u	103	8	2,000	2,000	CD
cord-351222-9bfchw4u	103	9	structures	structure	NNS
cord-351222-9bfchw4u	103	10	of	of	IN
cord-351222-9bfchw4u	103	11	natural	natural	JJ
cord-351222-9bfchw4u	103	12	compounds	compound	NNS
cord-351222-9bfchw4u	103	13	[	[	-LRB-
cord-351222-9bfchw4u	103	14	37	37	CD
cord-351222-9bfchw4u	103	15	]	]	-RRB-
cord-351222-9bfchw4u	103	16	.	.	.
cord-351222-9bfchw4u	104	1	A	a	DT
cord-351222-9bfchw4u	104	2	combination	combination	NN
cord-351222-9bfchw4u	104	3	of	of	IN
cord-351222-9bfchw4u	104	4	four	four	CD
cord-351222-9bfchw4u	104	5	docking	docking	NN
cord-351222-9bfchw4u	104	6	protocols	protocol	NNS
cord-351222-9bfchw4u	104	7	and	and	CC
cord-351222-9bfchw4u	104	8	five	five	CD
cord-351222-9bfchw4u	104	9	scoring	scoring	NN
cord-351222-9bfchw4u	104	10	functions	function	NNS
cord-351222-9bfchw4u	104	11	has	have	VBZ
cord-351222-9bfchw4u	104	12	been	be	VBN
cord-351222-9bfchw4u	104	13	utilized	utilize	VBN
cord-351222-9bfchw4u	104	14	to	to	TO
cord-351222-9bfchw4u	104	15	dock	dock	VB
cord-351222-9bfchw4u	104	16	and	and	CC
cord-351222-9bfchw4u	104	17	rank	rank	VB
cord-351222-9bfchw4u	104	18	the	the	DT
cord-351222-9bfchw4u	104	19	molecules	molecule	NNS
cord-351222-9bfchw4u	104	20	in	in	IN
cord-351222-9bfchw4u	104	21	the	the	DT
cord-351222-9bfchw4u	104	22	database	database	NN
cord-351222-9bfchw4u	104	23	.	.	.
cord-351222-9bfchw4u	105	1	The	the	DT
cord-351222-9bfchw4u	105	2	consensus	consensus	NN
cord-351222-9bfchw4u	105	3	docking	docking	NN
cord-351222-9bfchw4u	105	4	suggested	suggest	VBD
cord-351222-9bfchw4u	105	5	ellagic	ellagic	JJ
cord-351222-9bfchw4u	105	6	acid	acid	NN
cord-351222-9bfchw4u	105	7	to	to	TO
cord-351222-9bfchw4u	105	8	be	be	VB
cord-351222-9bfchw4u	105	9	one	one	CD
cord-351222-9bfchw4u	105	10	of	of	IN
cord-351222-9bfchw4u	105	11	the	the	DT
cord-351222-9bfchw4u	105	12	most	most	RBS
cord-351222-9bfchw4u	105	13	promising	promising	JJ
cord-351222-9bfchw4u	105	14	candidates	candidate	NNS
cord-351222-9bfchw4u	105	15	.	.	.
cord-351222-9bfchw4u	106	1	This	this	DT
cord-351222-9bfchw4u	106	2	assumption	assumption	NN
cord-351222-9bfchw4u	106	3	could	could	MD
cord-351222-9bfchw4u	106	4	be	be	VB
cord-351222-9bfchw4u	106	5	verified	verify	VBN
cord-351222-9bfchw4u	106	6	by	by	IN
cord-351222-9bfchw4u	106	7	experimental	experimental	JJ
cord-351222-9bfchw4u	106	8	studies	study	NNS
cord-351222-9bfchw4u	106	9	revealing	reveal	VBG
cord-351222-9bfchw4u	106	10	this	this	DT
cord-351222-9bfchw4u	106	11	NP	NP	NNP
cord-351222-9bfchw4u	106	12	as	as	RB
cord-351222-9bfchw4u	106	13	highly	highly	RB
cord-351222-9bfchw4u	106	14	potent	potent	JJ
cord-351222-9bfchw4u	106	15	CK2	CK2	NNP
cord-351222-9bfchw4u	106	16	inhibitor	inhibitor	NN
cord-351222-9bfchw4u	107	1	(	(	-LRB-
cord-351222-9bfchw4u	107	2	K	K	NNP
cord-351222-9bfchw4u	108	1	i	i	PRP
cord-351222-9bfchw4u	108	2	=	=	VBZ
cord-351222-9bfchw4u	108	3	20	20	CD
cord-351222-9bfchw4u	108	4	nM	nM	NNP
cord-351222-9bfchw4u	108	5	)	)	-RRB-
cord-351222-9bfchw4u	108	6	.	.	.
cord-351222-9bfchw4u	109	1	Estrogen	estrogen	NN
cord-351222-9bfchw4u	109	2	receptor	receptor	NN
cord-351222-9bfchw4u	109	3	-	-	HYPH
cord-351222-9bfchw4u	109	4	plays	play	VBZ
cord-351222-9bfchw4u	109	5	a	a	DT
cord-351222-9bfchw4u	109	6	key	key	JJ
cord-351222-9bfchw4u	109	7	role	role	NN
cord-351222-9bfchw4u	109	8	in	in	IN
cord-351222-9bfchw4u	109	9	regulating	regulate	VBG
cord-351222-9bfchw4u	109	10	brain	brain	NN
cord-351222-9bfchw4u	109	11	development	development	NN
cord-351222-9bfchw4u	109	12	and	and	CC
cord-351222-9bfchw4u	109	13	estrogen	estrogen	NN
cord-351222-9bfchw4u	109	14	-	-	HYPH
cord-351222-9bfchw4u	109	15	induced	induce	VBN
cord-351222-9bfchw4u	109	16	promotion	promotion	NN
cord-351222-9bfchw4u	109	17	of	of	IN
cord-351222-9bfchw4u	109	18	neurogenesis	neurogenesis	NN
cord-351222-9bfchw4u	109	19	and	and	CC
cord-351222-9bfchw4u	109	20	memory	memory	NN
cord-351222-9bfchw4u	109	21	.	.	.
cord-351222-9bfchw4u	110	1	Using	use	VBG
cord-351222-9bfchw4u	110	2	the	the	DT
cord-351222-9bfchw4u	110	3	3D	3d	NN
cord-351222-9bfchw4u	110	4	coordinates	coordinate	NNS
cord-351222-9bfchw4u	110	5	of	of	IN
cord-351222-9bfchw4u	110	6	the	the	DT
cord-351222-9bfchw4u	110	7	co	co	JJ
cord-351222-9bfchw4u	110	8	-	-	JJ
cord-351222-9bfchw4u	110	9	crystal	crystal	JJ
cord-351222-9bfchw4u	110	10	structure	structure	NN
cord-351222-9bfchw4u	110	11	of	of	IN
cord-351222-9bfchw4u	110	12	human	human	JJ
cord-351222-9bfchw4u	110	13	estrogen	estrogen	NN
cord-351222-9bfchw4u	110	14	receptorbound	receptorbound	NN
cord-351222-9bfchw4u	110	15	with	with	IN
cord-351222-9bfchw4u	110	16	genistein	genistein	NNP
cord-351222-9bfchw4u	110	17	as	as	IN
cord-351222-9bfchw4u	110	18	starting	starting	NN
cord-351222-9bfchw4u	110	19	point	point	NN
cord-351222-9bfchw4u	110	20	,	,	,
cord-351222-9bfchw4u	110	21	Zhao	Zhao	NNP
cord-351222-9bfchw4u	110	22	and	and	CC
cord-351222-9bfchw4u	110	23	Brinton	Brinton	NNP
cord-351222-9bfchw4u	110	24	pursued	pursue	VBD
cord-351222-9bfchw4u	110	25	a	a	DT
cord-351222-9bfchw4u	110	26	receptor	receptor	NN
cord-351222-9bfchw4u	110	27	-	-	HYPH
cord-351222-9bfchw4u	110	28	based	base	VBN
cord-351222-9bfchw4u	110	29	molecular	molecular	JJ
cord-351222-9bfchw4u	110	30	docking	docking	NN
cord-351222-9bfchw4u	110	31	approach	approach	NN
cord-351222-9bfchw4u	110	32	[	[	-LRB-
cord-351222-9bfchw4u	110	33	38	38	CD
cord-351222-9bfchw4u	110	34	]	]	-RRB-
cord-351222-9bfchw4u	110	35	.	.	.
cord-351222-9bfchw4u	111	1	They	-PRON-	PRP
cord-351222-9bfchw4u	111	2	focused	focus	VBD
cord-351222-9bfchw4u	111	3	on	on	IN
cord-351222-9bfchw4u	111	4	the	the	DT
cord-351222-9bfchw4u	111	5	search	search	NN
cord-351222-9bfchw4u	111	6	for	for	IN
cord-351222-9bfchw4u	111	7	natural	natural	JJ
cord-351222-9bfchw4u	111	8	estrogen	estrogen	NN
cord-351222-9bfchw4u	111	9	receptor	receptor	NN
cord-351222-9bfchw4u	111	10	--	--	:
cord-351222-9bfchw4u	111	11	selective	selective	JJ
cord-351222-9bfchw4u	111	12	ligands	ligand	NNS
cord-351222-9bfchw4u	111	13	.	.	.
cord-351222-9bfchw4u	112	1	Twelve	twelve	CD
cord-351222-9bfchw4u	112	2	candidate	candidate	NN
cord-351222-9bfchw4u	112	3	molecules	molecule	NNS
cord-351222-9bfchw4u	112	4	,	,	,
cord-351222-9bfchw4u	112	5	which	which	WDT
cord-351222-9bfchw4u	112	6	had	have	VBD
cord-351222-9bfchw4u	112	7	been	be	VBN
cord-351222-9bfchw4u	112	8	suggested	suggest	VBN
cord-351222-9bfchw4u	112	9	by	by	IN
cord-351222-9bfchw4u	112	10	the	the	DT
cord-351222-9bfchw4u	112	11	database	database	NN
cord-351222-9bfchw4u	112	12	screening	screening	NN
cord-351222-9bfchw4u	112	13	,	,	,
cord-351222-9bfchw4u	112	14	were	be	VBD
cord-351222-9bfchw4u	112	15	selected	select	VBN
cord-351222-9bfchw4u	112	16	.	.	.
cord-351222-9bfchw4u	113	1	The	the	DT
cord-351222-9bfchw4u	113	2	authors	author	NNS
cord-351222-9bfchw4u	113	3	determined	determine	VBD
cord-351222-9bfchw4u	113	4	their	-PRON-	PRP$
cord-351222-9bfchw4u	113	5	binding	bind	VBG
cord-351222-9bfchw4u	113	6	affinity	affinity	NN
cord-351222-9bfchw4u	113	7	and	and	CC
cord-351222-9bfchw4u	113	8	selectivity	selectivity	NN
cord-351222-9bfchw4u	113	9	;	;	:
cord-351222-9bfchw4u	113	10	three	three	CD
cord-351222-9bfchw4u	113	11	of	of	IN
cord-351222-9bfchw4u	113	12	the	the	DT
cord-351222-9bfchw4u	113	13	com	com	NN
cord-351222-9bfchw4u	113	14	-	-	HYPH
cord-351222-9bfchw4u	113	15	pounds	pound	NNS
cord-351222-9bfchw4u	113	16	belonging	belong	VBG
cord-351222-9bfchw4u	113	17	to	to	IN
cord-351222-9bfchw4u	113	18	the	the	DT
cord-351222-9bfchw4u	113	19	flavanoid	flavanoid	NNP
cord-351222-9bfchw4u	113	20	family	family	NN
cord-351222-9bfchw4u	113	21	(	(	-LRB-
cord-351222-9bfchw4u	113	22	3	3	LS
cord-351222-9bfchw4u	113	23	)	)	-RRB-
cord-351222-9bfchw4u	113	24	(	(	-LRB-
cord-351222-9bfchw4u	113	25	4	4	LS
cord-351222-9bfchw4u	113	26	)	)	-RRB-
cord-351222-9bfchw4u	113	27	(	(	-LRB-
cord-351222-9bfchw4u	113	28	5	5	LS
cord-351222-9bfchw4u	113	29	)	)	-RRB-
cord-351222-9bfchw4u	113	30	displayed	display	VBN
cord-351222-9bfchw4u	113	31	over	over	IN
cord-351222-9bfchw4u	113	32	100-fold	100-fold	CD
cord-351222-9bfchw4u	113	33	binding	bind	VBG
cord-351222-9bfchw4u	113	34	selectivity	selectivity	NN
cord-351222-9bfchw4u	113	35	to	to	IN
cord-351222-9bfchw4u	113	36	the	the	DT
cord-351222-9bfchw4u	113	37	estrogen	estrogen	NN
cord-351222-9bfchw4u	113	38	receptor	receptor	NN
cord-351222-9bfchw4u	113	39	-	-	HYPH
cord-351222-9bfchw4u	113	40	over	over	NN
cord-351222-9bfchw4u	113	41	.	.	.
cord-351222-9bfchw4u	114	1	A	a	DT
cord-351222-9bfchw4u	114	2	similar	similar	JJ
cord-351222-9bfchw4u	114	3	approach	approach	NN
cord-351222-9bfchw4u	114	4	was	be	VBD
cord-351222-9bfchw4u	114	5	employed	employ	VBN
cord-351222-9bfchw4u	114	6	by	by	IN
cord-351222-9bfchw4u	114	7	Liu	Liu	NNP
cord-351222-9bfchw4u	114	8	and	and	CC
cord-351222-9bfchw4u	114	9	co	co	NNS
cord-351222-9bfchw4u	114	10	-	-	NNS
cord-351222-9bfchw4u	114	11	authors	author	NNS
cord-351222-9bfchw4u	114	12	.	.	.
cord-351222-9bfchw4u	115	1	Applying	apply	VBG
cord-351222-9bfchw4u	115	2	a	a	DT
cord-351222-9bfchw4u	115	3	docking	docking	NN
cord-351222-9bfchw4u	115	4	virtual	virtual	JJ
cord-351222-9bfchw4u	115	5	screening	screening	NN
cord-351222-9bfchw4u	115	6	filtering	filter	VBG
cord-351222-9bfchw4u	115	7	experiment	experiment	NN
cord-351222-9bfchw4u	115	8	,	,	,
cord-351222-9bfchw4u	115	9	the	the	DT
cord-351222-9bfchw4u	115	10	authors	author	NNS
cord-351222-9bfchw4u	115	11	discovered	discover	VBD
cord-351222-9bfchw4u	115	12	potent	potent	JJ
cord-351222-9bfchw4u	115	13	inhibitors	inhibitor	NNS
cord-351222-9bfchw4u	115	14	of	of	IN
cord-351222-9bfchw4u	115	15	the	the	DT
cord-351222-9bfchw4u	115	16	potassium	potassium	NN
cord-351222-9bfchw4u	115	17	ion	ion	NN
cord-351222-9bfchw4u	115	18	channel	channel	NN
cord-351222-9bfchw4u	115	19	from	from	IN
cord-351222-9bfchw4u	115	20	a	a	DT
cord-351222-9bfchw4u	115	21	Chinese	chinese	JJ
cord-351222-9bfchw4u	115	22	NP	NP	NNP
cord-351222-9bfchw4u	115	23	database	database	NN
cord-351222-9bfchw4u	115	24	[	[	-LRB-
cord-351222-9bfchw4u	115	25	39	39	CD
cord-351222-9bfchw4u	115	26	]	]	-RRB-
cord-351222-9bfchw4u	115	27	.	.	.
cord-351222-9bfchw4u	116	1	The	the	DT
cord-351222-9bfchw4u	116	2	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	116	3	concept	concept	NN
cord-351222-9bfchw4u	116	4	has	have	VBZ
cord-351222-9bfchw4u	116	5	proven	prove	VBN
cord-351222-9bfchw4u	116	6	to	to	TO
cord-351222-9bfchw4u	116	7	be	be	VB
cord-351222-9bfchw4u	116	8	extremely	extremely	RB
cord-351222-9bfchw4u	116	9	successful	successful	JJ
cord-351222-9bfchw4u	116	10	,	,	,
cord-351222-9bfchw4u	116	11	not	not	RB
cord-351222-9bfchw4u	116	12	only	only	RB
cord-351222-9bfchw4u	116	13	in	in	IN
cord-351222-9bfchw4u	116	14	rationalizing	rationalize	VBG
cord-351222-9bfchw4u	116	15	structure	structure	NN
cord-351222-9bfchw4u	116	16	-	-	HYPH
cord-351222-9bfchw4u	116	17	activity	activity	NN
cord-351222-9bfchw4u	116	18	relationships	relationship	NNS
cord-351222-9bfchw4u	116	19	,	,	,
cord-351222-9bfchw4u	116	20	but	but	CC
cord-351222-9bfchw4u	116	21	also	also	RB
cord-351222-9bfchw4u	116	22	by	by	IN
cord-351222-9bfchw4u	116	23	its	-PRON-	PRP$
cord-351222-9bfchw4u	116	24	large	large	JJ
cord-351222-9bfchw4u	116	25	impact	impact	NN
cord-351222-9bfchw4u	116	26	in	in	IN
cord-351222-9bfchw4u	116	27	developing	develop	VBG
cord-351222-9bfchw4u	116	28	the	the	DT
cord-351222-9bfchw4u	116	29	appropriate	appropriate	JJ
cord-351222-9bfchw4u	116	30	3D	3d	JJ
cord-351222-9bfchw4u	116	31	-	-	HYPH
cord-351222-9bfchw4u	116	32	tools	tool	NNS
cord-351222-9bfchw4u	116	33	for	for	IN
cord-351222-9bfchw4u	116	34	efficient	efficient	JJ
cord-351222-9bfchw4u	116	35	virtual	virtual	JJ
cord-351222-9bfchw4u	116	36	screening	screening	NN
cord-351222-9bfchw4u	116	37	[	[	-LRB-
cord-351222-9bfchw4u	116	38	40	40	CD
cord-351222-9bfchw4u	116	39	]	]	-RRB-
cord-351222-9bfchw4u	116	40	.	.	.
cord-351222-9bfchw4u	117	1	Profiling	profiling	NN
cord-351222-9bfchw4u	117	2	of	of	IN
cord-351222-9bfchw4u	117	3	combinatorial	combinatorial	JJ
cord-351222-9bfchw4u	117	4	libraries	library	NNS
cord-351222-9bfchw4u	117	5	and	and	CC
cord-351222-9bfchw4u	117	6	compound	compound	NN
cord-351222-9bfchw4u	117	7	classification	classification	NN
cord-351222-9bfchw4u	117	8	are	be	VBP
cord-351222-9bfchw4u	117	9	other	other	JJ
cord-351222-9bfchw4u	117	10	often	often	RB
cord-351222-9bfchw4u	117	11	-	-	HYPH
cord-351222-9bfchw4u	117	12	used	use	VBN
cord-351222-9bfchw4u	117	13	applications	application	NNS
cord-351222-9bfchw4u	117	14	of	of	IN
cord-351222-9bfchw4u	117	15	this	this	DT
cord-351222-9bfchw4u	117	16	concept	concept	NN
cord-351222-9bfchw4u	117	17	.	.	.
cord-351222-9bfchw4u	118	1	Although	although	IN
cord-351222-9bfchw4u	118	2	well	well	RB
cord-351222-9bfchw4u	118	3	established	establish	VBN
cord-351222-9bfchw4u	118	4	in	in	IN
cord-351222-9bfchw4u	118	5	combinatorial	combinatorial	JJ
cord-351222-9bfchw4u	118	6	chemistry	chemistry	NN
cord-351222-9bfchw4u	118	7	,	,	,
cord-351222-9bfchw4u	118	8	it	-PRON-	PRP
cord-351222-9bfchw4u	118	9	has	have	VBZ
cord-351222-9bfchw4u	118	10	to	to	TO
cord-351222-9bfchw4u	118	11	be	be	VB
cord-351222-9bfchw4u	118	12	pointed	point	VBN
cord-351222-9bfchw4u	118	13	out	out	RP
cord-351222-9bfchw4u	118	14	that	that	IN
cord-351222-9bfchw4u	118	15	the	the	DT
cord-351222-9bfchw4u	118	16	tools	tool	NNS
cord-351222-9bfchw4u	118	17	described	describe	VBN
cord-351222-9bfchw4u	118	18	in	in	IN
cord-351222-9bfchw4u	118	19	this	this	DT
cord-351222-9bfchw4u	118	20	section	section	NN
cord-351222-9bfchw4u	118	21	have	have	VBP
cord-351222-9bfchw4u	118	22	likewise	likewise	RB
cord-351222-9bfchw4u	118	23	a	a	DT
cord-351222-9bfchw4u	118	24	considerable	considerable	JJ
cord-351222-9bfchw4u	118	25	impact	impact	NN
cord-351222-9bfchw4u	118	26	on	on	IN
cord-351222-9bfchw4u	118	27	the	the	DT
cord-351222-9bfchw4u	118	28	rational	rational	JJ
cord-351222-9bfchw4u	118	29	finding	finding	NN
cord-351222-9bfchw4u	118	30	of	of	IN
cord-351222-9bfchw4u	118	31	new	new	JJ
cord-351222-9bfchw4u	118	32	potential	potential	JJ
cord-351222-9bfchw4u	118	33	lead	lead	NN
cord-351222-9bfchw4u	118	34	compounds	compound	NNS
cord-351222-9bfchw4u	118	35	originating	originate	VBG
cord-351222-9bfchw4u	118	36	from	from	IN
cord-351222-9bfchw4u	118	37	the	the	DT
cord-351222-9bfchw4u	118	38	immense	immense	JJ
cord-351222-9bfchw4u	118	39	source	source	NN
cord-351222-9bfchw4u	118	40	of	of	IN
cord-351222-9bfchw4u	118	41	secondary	secondary	JJ
cord-351222-9bfchw4u	118	42	metabolites	metabolite	NNS
cord-351222-9bfchw4u	118	43	.	.	.
cord-351222-9bfchw4u	119	1	The	the	DT
cord-351222-9bfchw4u	119	2	prior	prior	JJ
cord-351222-9bfchw4u	119	3	use	use	NN
cord-351222-9bfchw4u	119	4	of	of	IN
cord-351222-9bfchw4u	119	5	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	119	6	models	model	NNS
cord-351222-9bfchw4u	119	7	in	in	IN
cord-351222-9bfchw4u	119	8	biological	biological	JJ
cord-351222-9bfchw4u	119	9	screening	screening	NN
cord-351222-9bfchw4u	119	10	of	of	IN
cord-351222-9bfchw4u	119	11	NPs	NPs	NNPS
cord-351222-9bfchw4u	119	12	is	be	VBZ
cord-351222-9bfchw4u	119	13	an	an	DT
cord-351222-9bfchw4u	119	14	efficient	efficient	JJ
cord-351222-9bfchw4u	119	15	procedure	procedure	NN
cord-351222-9bfchw4u	119	16	since	since	IN
cord-351222-9bfchw4u	119	17	it	-PRON-	PRP
cord-351222-9bfchw4u	119	18	quickly	quickly	RB
cord-351222-9bfchw4u	119	19	eliminates	eliminate	VBZ
cord-351222-9bfchw4u	119	20	molecules	molecule	NNS
cord-351222-9bfchw4u	119	21	that	that	WDT
cord-351222-9bfchw4u	119	22	do	do	VBP
cord-351222-9bfchw4u	119	23	not	not	RB
cord-351222-9bfchw4u	119	24	possess	possess	VB
cord-351222-9bfchw4u	119	25	the	the	DT
cord-351222-9bfchw4u	119	26	required	require	VBN
cord-351222-9bfchw4u	119	27	features	feature	NNS
cord-351222-9bfchw4u	119	28	thus	thus	RB
cord-351222-9bfchw4u	119	29	leading	lead	VBG
cord-351222-9bfchw4u	119	30	to	to	IN
cord-351222-9bfchw4u	119	31	a	a	DT
cord-351222-9bfchw4u	119	32	dramatic	dramatic	JJ
cord-351222-9bfchw4u	119	33	increase	increase	NN
cord-351222-9bfchw4u	119	34	of	of	IN
cord-351222-9bfchw4u	119	35	enrichment	enrichment	NN
cord-351222-9bfchw4u	119	36	,	,	,
cord-351222-9bfchw4u	119	37	when	when	WRB
cord-351222-9bfchw4u	119	38	compared	compare	VBN
cord-351222-9bfchw4u	119	39	to	to	IN
cord-351222-9bfchw4u	119	40	a	a	DT
cord-351222-9bfchw4u	119	41	purely	purely	RB
cord-351222-9bfchw4u	119	42	random	random	JJ
cord-351222-9bfchw4u	119	43	screening	screening	NN
cord-351222-9bfchw4u	119	44	experiment	experiment	NN
cord-351222-9bfchw4u	119	45	.	.	.
cord-351222-9bfchw4u	120	1	In	in	IN
cord-351222-9bfchw4u	120	2	a	a	DT
cord-351222-9bfchw4u	120	3	previous	previous	JJ
cord-351222-9bfchw4u	120	4	study	study	NN
cord-351222-9bfchw4u	120	5	conducted	conduct	VBN
cord-351222-9bfchw4u	120	6	by	by	IN
cord-351222-9bfchw4u	120	7	Doman	Doman	NNP
cord-351222-9bfchw4u	120	8	and	and	CC
cord-351222-9bfchw4u	120	9	co	co	NNS
cord-351222-9bfchw4u	120	10	-	-	NNS
cord-351222-9bfchw4u	120	11	authors	author	NNS
cord-351222-9bfchw4u	120	12	[	[	-LRB-
cord-351222-9bfchw4u	120	13	41	41	CD
cord-351222-9bfchw4u	120	14	]	]	-RRB-
cord-351222-9bfchw4u	120	15	,	,	,
cord-351222-9bfchw4u	120	16	only	only	RB
cord-351222-9bfchw4u	120	17	85	85	CD
cord-351222-9bfchw4u	120	18	molecules	molecule	NNS
cord-351222-9bfchw4u	120	19	or	or	CC
cord-351222-9bfchw4u	120	20	0.021	0.021	CD
cord-351222-9bfchw4u	120	21	%	%	NN
cord-351222-9bfchw4u	120	22	revealed	reveal	VBN
cord-351222-9bfchw4u	120	23	as	as	IN
cord-351222-9bfchw4u	120	24	protein	protein	NN
cord-351222-9bfchw4u	120	25	tyrosine	tyrosine	NN
cord-351222-9bfchw4u	120	26	phosphatase-1B	phosphatase-1b	NN
cord-351222-9bfchw4u	120	27	inhibitors	inhibitor	NNS
cord-351222-9bfchw4u	120	28	(	(	-LRB-
cord-351222-9bfchw4u	120	29	IC	IC	NNP
cord-351222-9bfchw4u	120	30	50	50	CD
cord-351222-9bfchw4u	120	31	<	<	XX
cord-351222-9bfchw4u	120	32	100	100	CD
cord-351222-9bfchw4u	120	33	µM	µM	NNP
cord-351222-9bfchw4u	120	34	)	)	-RRB-
cord-351222-9bfchw4u	120	35	by	by	IN
cord-351222-9bfchw4u	120	36	a	a	DT
cord-351222-9bfchw4u	120	37	HTS	HTS	NNP
cord-351222-9bfchw4u	120	38	of	of	IN
cord-351222-9bfchw4u	120	39	approximately	approximately	RB
cord-351222-9bfchw4u	120	40	400,000	400,000	CD
cord-351222-9bfchw4u	120	41	compounds	compound	NNS
cord-351222-9bfchw4u	120	42	.	.	.
cord-351222-9bfchw4u	121	1	On	on	IN
cord-351222-9bfchw4u	121	2	the	the	DT
cord-351222-9bfchw4u	121	3	other	other	JJ
cord-351222-9bfchw4u	121	4	hand	hand	NN
cord-351222-9bfchw4u	121	5	,	,	,
cord-351222-9bfchw4u	121	6	of	of	IN
cord-351222-9bfchw4u	121	7	365	365	CD
cord-351222-9bfchw4u	121	8	molecules	molecule	NNS
cord-351222-9bfchw4u	121	9	suggested	suggest	VBN
cord-351222-9bfchw4u	121	10	by	by	IN
cord-351222-9bfchw4u	121	11	molecular	molecular	JJ
cord-351222-9bfchw4u	121	12	docking	docking	NN
cord-351222-9bfchw4u	121	13	,	,	,
cord-351222-9bfchw4u	121	14	127	127	CD
cord-351222-9bfchw4u	121	15	or	or	CC
cord-351222-9bfchw4u	121	16	34.8	34.8	CD
cord-351222-9bfchw4u	121	17	%	%	NN
cord-351222-9bfchw4u	121	18	were	be	VBD
cord-351222-9bfchw4u	121	19	found	find	VBN
cord-351222-9bfchw4u	121	20	to	to	TO
cord-351222-9bfchw4u	121	21	be	be	VB
cord-351222-9bfchw4u	121	22	active	active	JJ
cord-351222-9bfchw4u	121	23	.	.	.
cord-351222-9bfchw4u	122	1	Thus	thus	RB
cord-351222-9bfchw4u	122	2	,	,	,
cord-351222-9bfchw4u	122	3	dockingbased	dockingbased	JJ
cord-351222-9bfchw4u	122	4	virtual	virtual	JJ
cord-351222-9bfchw4u	122	5	screening	screening	NN
cord-351222-9bfchw4u	122	6	enriched	enrich	VBD
cord-351222-9bfchw4u	122	7	the	the	DT
cord-351222-9bfchw4u	122	8	hit	hit	VBN
cord-351222-9bfchw4u	122	9	rate	rate	NN
cord-351222-9bfchw4u	122	10	by	by	IN
cord-351222-9bfchw4u	122	11	almost	almost	RB
cord-351222-9bfchw4u	122	12	1,700-fold	1,700-fold	CD
cord-351222-9bfchw4u	122	13	over	over	IN
cord-351222-9bfchw4u	122	14	random	random	JJ
cord-351222-9bfchw4u	122	15	screening	screening	NN
cord-351222-9bfchw4u	122	16	.	.	.
cord-351222-9bfchw4u	123	1	One	one	PRP
cord-351222-9bfchw4u	123	2	should	should	MD
cord-351222-9bfchw4u	123	3	not	not	RB
cord-351222-9bfchw4u	123	4	forget	forget	VB
cord-351222-9bfchw4u	123	5	,	,	,
cord-351222-9bfchw4u	123	6	however	however	RB
cord-351222-9bfchw4u	123	7	,	,	,
cord-351222-9bfchw4u	123	8	that	that	IN
cord-351222-9bfchw4u	123	9	additional	additional	JJ
cord-351222-9bfchw4u	123	10	molecular	molecular	JJ
cord-351222-9bfchw4u	123	11	characteristics	characteristic	NNS
cord-351222-9bfchw4u	123	12	not	not	RB
cord-351222-9bfchw4u	123	13	reflected	reflect	VBN
cord-351222-9bfchw4u	123	14	by	by	IN
cord-351222-9bfchw4u	123	15	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	123	16	models	model	NNS
cord-351222-9bfchw4u	123	17	(	(	-LRB-
cord-351222-9bfchw4u	123	18	physicochemical	physicochemical	JJ
cord-351222-9bfchw4u	123	19	properties	property	NNS
cord-351222-9bfchw4u	123	20	relevant	relevant	JJ
cord-351222-9bfchw4u	123	21	for	for	IN
cord-351222-9bfchw4u	123	22	ADME	ADME	NNP
cord-351222-9bfchw4u	123	23	and	and	CC
cord-351222-9bfchw4u	123	24	toxicological	toxicological	JJ
cord-351222-9bfchw4u	123	25	properties	property	NNS
cord-351222-9bfchw4u	123	26	)	)	-RRB-
cord-351222-9bfchw4u	123	27	must	must	MD
cord-351222-9bfchw4u	123	28	be	be	VB
cord-351222-9bfchw4u	123	29	taken	take	VBN
cord-351222-9bfchw4u	123	30	into	into	IN
cord-351222-9bfchw4u	123	31	account	account	NN
cord-351222-9bfchw4u	123	32	when	when	WRB
cord-351222-9bfchw4u	123	33	deciding	decide	VBG
cord-351222-9bfchw4u	123	34	upon	upon	IN
cord-351222-9bfchw4u	123	35	which	which	WDT
cord-351222-9bfchw4u	123	36	compounds	compound	NNS
cord-351222-9bfchw4u	123	37	should	should	MD
cord-351222-9bfchw4u	123	38	be	be	VB
cord-351222-9bfchw4u	123	39	further	further	RB
cord-351222-9bfchw4u	123	40	developed	develop	VBN
cord-351222-9bfchw4u	123	41	[	[	-LRB-
cord-351222-9bfchw4u	123	42	42	42	CD
cord-351222-9bfchw4u	123	43	]	]	-RRB-
cord-351222-9bfchw4u	123	44	.	.	.
cord-351222-9bfchw4u	124	1	A	a	DT
cord-351222-9bfchw4u	124	2	rapid	rapid	JJ
cord-351222-9bfchw4u	124	3	identification	identification	NN
cord-351222-9bfchw4u	124	4	and	and	CC
cord-351222-9bfchw4u	124	5	elimination	elimination	NN
cord-351222-9bfchw4u	124	6	of	of	IN
cord-351222-9bfchw4u	124	7	compounds	compound	NNS
cord-351222-9bfchw4u	124	8	with	with	IN
cord-351222-9bfchw4u	124	9	unsuitable	unsuitable	JJ
cord-351222-9bfchw4u	124	10	physicochemical	physicochemical	JJ
cord-351222-9bfchw4u	124	11	and	and	CC
cord-351222-9bfchw4u	124	12	pharmacokinetic	pharmacokinetic	JJ
cord-351222-9bfchw4u	124	13	properties	property	NNS
cord-351222-9bfchw4u	124	14	is	be	VBZ
cord-351222-9bfchw4u	124	15	a	a	DT
cord-351222-9bfchw4u	124	16	pivotal	pivotal	JJ
cord-351222-9bfchw4u	124	17	step	step	NN
cord-351222-9bfchw4u	124	18	in	in	IN
cord-351222-9bfchw4u	124	19	the	the	DT
cord-351222-9bfchw4u	124	20	early	early	JJ
cord-351222-9bfchw4u	124	21	drug	drug	NN
cord-351222-9bfchw4u	124	22	discovery	discovery	NN
cord-351222-9bfchw4u	124	23	process	process	NN
cord-351222-9bfchw4u	124	24	[	[	-LRB-
cord-351222-9bfchw4u	124	25	43	43	CD
cord-351222-9bfchw4u	124	26	,	,	,
cord-351222-9bfchw4u	124	27	44	44	CD
cord-351222-9bfchw4u	124	28	]	]	-RRB-
cord-351222-9bfchw4u	124	29	.	.	.
cord-351222-9bfchw4u	125	1	They	-PRON-	PRP
cord-351222-9bfchw4u	125	2	can	can	MD
cord-351222-9bfchw4u	125	3	be	be	VB
cord-351222-9bfchw4u	125	4	evaluated	evaluate	VBN
cord-351222-9bfchw4u	125	5	traditionally	traditionally	RB
cord-351222-9bfchw4u	125	6	or	or	CC
cord-351222-9bfchw4u	125	7	by	by	IN
cord-351222-9bfchw4u	125	8	high	high	JJ
cord-351222-9bfchw4u	125	9	throughput	throughput	NN
cord-351222-9bfchw4u	125	10	screening	screening	NN
cord-351222-9bfchw4u	125	11	,	,	,
cord-351222-9bfchw4u	125	12	which	which	WDT
cord-351222-9bfchw4u	125	13	are	be	VBP
cord-351222-9bfchw4u	125	14	discussed	discuss	VBN
cord-351222-9bfchw4u	125	15	in	in	IN
cord-351222-9bfchw4u	125	16	detail	detail	NN
cord-351222-9bfchw4u	125	17	by	by	IN
cord-351222-9bfchw4u	125	18	Avdeef	Avdeef	NNP
cord-351222-9bfchw4u	125	19	and	and	CC
cord-351222-9bfchw4u	125	20	Testa	Testa	NNP
cord-351222-9bfchw4u	125	21	[	[	-LRB-
cord-351222-9bfchw4u	125	22	45	45	CD
cord-351222-9bfchw4u	125	23	]	]	-RRB-
cord-351222-9bfchw4u	125	24	.	.	.
cord-351222-9bfchw4u	126	1	This	this	DT
cord-351222-9bfchw4u	126	2	must	must	MD
cord-351222-9bfchw4u	126	3	be	be	VB
cord-351222-9bfchw4u	126	4	considered	consider	VBN
cord-351222-9bfchw4u	126	5	for	for	IN
cord-351222-9bfchw4u	126	6	synthetics	synthetic	NNS
cord-351222-9bfchw4u	126	7	as	as	RB
cord-351222-9bfchw4u	126	8	well	well	RB
cord-351222-9bfchw4u	126	9	as	as	IN
cord-351222-9bfchw4u	126	10	NPs	NPs	NNP
cord-351222-9bfchw4u	126	11	,	,	,
cord-351222-9bfchw4u	126	12	though	though	IN
cord-351222-9bfchw4u	126	13	studies	study	NNS
cord-351222-9bfchw4u	126	14	revealed	reveal	VBD
cord-351222-9bfchw4u	126	15	secondary	secondary	JJ
cord-351222-9bfchw4u	126	16	metabolites	metabolite	NNS
cord-351222-9bfchw4u	126	17	not	not	RB
cord-351222-9bfchw4u	126	18	only	only	RB
cord-351222-9bfchw4u	126	19	high	high	JJ
cord-351222-9bfchw4u	126	20	scaffold	scaffold	NN
cord-351222-9bfchw4u	126	21	diversity	diversity	NN
cord-351222-9bfchw4u	126	22	;	;	,
cord-351222-9bfchw4u	126	23	biosynthesized	biosynthesize	VBN
cord-351222-9bfchw4u	126	24	molecules	molecule	NNS
cord-351222-9bfchw4u	126	25	also	also	RB
cord-351222-9bfchw4u	126	26	show	show	VBP
cord-351222-9bfchw4u	126	27	structural	structural	JJ
cord-351222-9bfchw4u	126	28	and	and	CC
cord-351222-9bfchw4u	126	29	spatial	spatial	JJ
cord-351222-9bfchw4u	126	30	characteristics	characteristic	NNS
cord-351222-9bfchw4u	126	31	that	that	WDT
cord-351222-9bfchw4u	126	32	are	be	VBP
cord-351222-9bfchw4u	126	33	closer	close	JJR
cord-351222-9bfchw4u	126	34	to	to	IN
cord-351222-9bfchw4u	126	35	drug	drug	NN
cord-351222-9bfchw4u	126	36	leads	lead	NNS
cord-351222-9bfchw4u	126	37	than	than	IN
cord-351222-9bfchw4u	126	38	those	those	DT
cord-351222-9bfchw4u	126	39	of	of	IN
cord-351222-9bfchw4u	126	40	synthetic	synthetic	JJ
cord-351222-9bfchw4u	126	41	molecules	molecule	NNS
cord-351222-9bfchw4u	126	42	[	[	-LRB-
cord-351222-9bfchw4u	126	43	46	46	CD
cord-351222-9bfchw4u	126	44	,	,	,
cord-351222-9bfchw4u	126	45	47	47	CD
cord-351222-9bfchw4u	126	46	]	]	-RRB-
cord-351222-9bfchw4u	126	47	.	.	.
cord-351222-9bfchw4u	127	1	Typically	typically	RB
cord-351222-9bfchw4u	127	2	,	,	,
cord-351222-9bfchw4u	127	3	NPs	NPs	NNPS
cord-351222-9bfchw4u	127	4	include	include	VBP
cord-351222-9bfchw4u	127	5	more	more	JJR
cord-351222-9bfchw4u	127	6	chiral	chiral	JJ
cord-351222-9bfchw4u	127	7	centers	center	NNS
cord-351222-9bfchw4u	127	8	and	and	CC
cord-351222-9bfchw4u	127	9	their	-PRON-	PRP$
cord-351222-9bfchw4u	127	10	stereochemical	stereochemical	JJ
cord-351222-9bfchw4u	127	11	architecture	architecture	NN
cord-351222-9bfchw4u	127	12	is	be	VBZ
cord-351222-9bfchw4u	127	13	much	much	RB
cord-351222-9bfchw4u	127	14	more	more	RBR
cord-351222-9bfchw4u	127	15	complex	complex	JJ
cord-351222-9bfchw4u	127	16	than	than	IN
cord-351222-9bfchw4u	127	17	that	that	DT
cord-351222-9bfchw4u	127	18	of	of	IN
cord-351222-9bfchw4u	127	19	synthetic	synthetic	JJ
cord-351222-9bfchw4u	127	20	molecules	molecule	NNS
cord-351222-9bfchw4u	127	21	.	.	.
cord-351222-9bfchw4u	128	1	Furthermore	furthermore	RB
cord-351222-9bfchw4u	128	2	,	,	,
cord-351222-9bfchw4u	128	3	they	-PRON-	PRP
cord-351222-9bfchw4u	128	4	usually	usually	RB
cord-351222-9bfchw4u	128	5	contain	contain	VBP
cord-351222-9bfchw4u	128	6	more	more	JJR
cord-351222-9bfchw4u	128	7	carbons	carbon	NNS
cord-351222-9bfchw4u	128	8	,	,	,
cord-351222-9bfchw4u	128	9	hydrogen	hydrogen	NN
cord-351222-9bfchw4u	128	10	and	and	CC
cord-351222-9bfchw4u	128	11	oxygen	oxygen	NN
cord-351222-9bfchw4u	128	12	,	,	,
cord-351222-9bfchw4u	128	13	however	however	RB
cord-351222-9bfchw4u	128	14	,	,	,
cord-351222-9bfchw4u	128	15	less	less	JJR
cord-351222-9bfchw4u	128	16	nitrogen	nitrogen	NN
cord-351222-9bfchw4u	128	17	and	and	CC
cord-351222-9bfchw4u	128	18	other	other	JJ
cord-351222-9bfchw4u	128	19	atoms	atom	NNS
cord-351222-9bfchw4u	128	20	compared	compare	VBN
cord-351222-9bfchw4u	128	21	to	to	IN
cord-351222-9bfchw4u	128	22	synthetics	synthetic	NNS
cord-351222-9bfchw4u	128	23	.	.	.
cord-351222-9bfchw4u	129	1	Surprisingly	surprisingly	RB
cord-351222-9bfchw4u	129	2	,	,	,
cord-351222-9bfchw4u	129	3	NPs	NPs	NNPS
cord-351222-9bfchw4u	129	4	often	often	RB
cord-351222-9bfchw4u	129	5	show	show	VBP
cord-351222-9bfchw4u	129	6	a	a	DT
cord-351222-9bfchw4u	129	7	molecular	molecular	JJ
cord-351222-9bfchw4u	129	8	weight	weight	NN
cord-351222-9bfchw4u	129	9	higher	high	JJR
cord-351222-9bfchw4u	129	10	than	than	IN
cord-351222-9bfchw4u	129	11	500	500	CD
cord-351222-9bfchw4u	129	12	Da	Da	NNP
cord-351222-9bfchw4u	129	13	combined	combine	VBN
cord-351222-9bfchw4u	129	14	with	with	IN
cord-351222-9bfchw4u	129	15	a	a	DT
cord-351222-9bfchw4u	129	16	high	high	JJ
cord-351222-9bfchw4u	129	17	polarity	polarity	NN
cord-351222-9bfchw4u	129	18	[	[	-LRB-
cord-351222-9bfchw4u	129	19	7	7	CD
cord-351222-9bfchw4u	129	20	]	]	-RRB-
cord-351222-9bfchw4u	129	21	,	,	,
cord-351222-9bfchw4u	129	22	which	which	WDT
cord-351222-9bfchw4u	129	23	is	be	VBZ
cord-351222-9bfchw4u	129	24	in	in	IN
cord-351222-9bfchw4u	129	25	clear	clear	JJ
cord-351222-9bfchw4u	129	26	contrast	contrast	NN
cord-351222-9bfchw4u	129	27	to	to	IN
cord-351222-9bfchw4u	129	28	Lipinski	Lipinski	NNP
cord-351222-9bfchw4u	129	29	's	's	POS
cord-351222-9bfchw4u	129	30	rule	rule	NN
cord-351222-9bfchw4u	129	31	of	of	IN
cord-351222-9bfchw4u	129	32	five	five	CD
cord-351222-9bfchw4u	129	33	[	[	-LRB-
cord-351222-9bfchw4u	129	34	48	48	CD
cord-351222-9bfchw4u	129	35	]	]	-RRB-
cord-351222-9bfchw4u	129	36	.	.	.
cord-351222-9bfchw4u	130	1	Nevertheless	nevertheless	RB
cord-351222-9bfchw4u	130	2	only	only	RB
cord-351222-9bfchw4u	130	3	about	about	RB
cord-351222-9bfchw4u	130	4	10	10	CD
cord-351222-9bfchw4u	130	5	%	%	NN
cord-351222-9bfchw4u	130	6	of	of	IN
cord-351222-9bfchw4u	130	7	NPs	NPs	NNPS
cord-351222-9bfchw4u	130	8	contain	contain	VBP
cord-351222-9bfchw4u	130	9	two	two	CD
cord-351222-9bfchw4u	130	10	or	or	CC
cord-351222-9bfchw4u	130	11	more	more	JJR
cord-351222-9bfchw4u	130	12	violations	violation	NNS
cord-351222-9bfchw4u	130	13	of	of	IN
cord-351222-9bfchw4u	130	14	Lipinski	Lipinski	NNP
cord-351222-9bfchw4u	130	15	's	's	POS
cord-351222-9bfchw4u	130	16	rules	rule	NNS
cord-351222-9bfchw4u	130	17	[	[	-LRB-
cord-351222-9bfchw4u	130	18	47	47	CD
cord-351222-9bfchw4u	130	19	]	]	-RRB-
cord-351222-9bfchw4u	130	20	.	.	.
cord-351222-9bfchw4u	131	1	In	in	IN
cord-351222-9bfchw4u	131	2	summary	summary	NN
cord-351222-9bfchw4u	131	3	,	,	,
cord-351222-9bfchw4u	131	4	natural	natural	JJ
cord-351222-9bfchw4u	131	5	chemistry	chemistry	NN
cord-351222-9bfchw4u	131	6	can	can	MD
cord-351222-9bfchw4u	131	7	be	be	VB
cord-351222-9bfchw4u	131	8	seen	see	VBN
cord-351222-9bfchw4u	131	9	as	as	IN
cord-351222-9bfchw4u	131	10	highly	highly	RB
cord-351222-9bfchw4u	131	11	diverse	diverse	JJ
cord-351222-9bfchw4u	131	12	scaffolds	scaffold	NNS
cord-351222-9bfchw4u	131	13	endowed	endow	VBN
cord-351222-9bfchw4u	131	14	with	with	IN
cord-351222-9bfchw4u	131	15	potential	potential	JJ
cord-351222-9bfchw4u	131	16	drugable	drugable	JJ
cord-351222-9bfchw4u	131	17	pharmacophores	pharmacophore	NNS
cord-351222-9bfchw4u	131	18	.	.	.
cord-351222-9bfchw4u	132	1	6	6	CD
cord-351222-9bfchw4u	132	2	Structure	structure	NN
cord-351222-9bfchw4u	132	3	-	-	HYPH
cord-351222-9bfchw4u	132	4	based	base	VBN
cord-351222-9bfchw4u	132	5	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	132	6	model	model	NN
cord-351222-9bfchw4u	132	7	An	an	DT
cord-351222-9bfchw4u	132	8	inevitable	inevitable	JJ
cord-351222-9bfchw4u	132	9	prerequisite	prerequisite	NN
cord-351222-9bfchw4u	132	10	for	for	IN
cord-351222-9bfchw4u	132	11	generating	generate	VBG
cord-351222-9bfchw4u	132	12	a	a	DT
cord-351222-9bfchw4u	132	13	structure	structure	NN
cord-351222-9bfchw4u	132	14	-	-	HYPH
cord-351222-9bfchw4u	132	15	based	base	VBN
cord-351222-9bfchw4u	132	16	model	model	NN
cord-351222-9bfchw4u	132	17	is	be	VBZ
cord-351222-9bfchw4u	132	18	the	the	DT
cord-351222-9bfchw4u	132	19	knowledge	knowledge	NN
cord-351222-9bfchw4u	132	20	about	about	IN
cord-351222-9bfchw4u	132	21	the	the	DT
cord-351222-9bfchw4u	132	22	ligand	ligand	NN
cord-351222-9bfchw4u	132	23	-	-	HYPH
cord-351222-9bfchw4u	132	24	target	target	NN
cord-351222-9bfchw4u	132	25	interaction	interaction	NN
cord-351222-9bfchw4u	132	26	[	[	-LRB-
cord-351222-9bfchw4u	132	27	49	49	CD
cord-351222-9bfchw4u	132	28	]	]	-RRB-
cord-351222-9bfchw4u	132	29	including	include	VBG
cord-351222-9bfchw4u	132	30	the	the	DT
cord-351222-9bfchw4u	132	31	availability	availability	NN
cord-351222-9bfchw4u	132	32	of	of	IN
cord-351222-9bfchw4u	132	33	the	the	DT
cord-351222-9bfchw4u	132	34	3D	3d	JJ
cord-351222-9bfchw4u	132	35	structure	structure	NN
cord-351222-9bfchw4u	132	36	of	of	IN
cord-351222-9bfchw4u	132	37	the	the	DT
cord-351222-9bfchw4u	132	38	target	target	NN
cord-351222-9bfchw4u	132	39	either	either	CC
cord-351222-9bfchw4u	132	40	by	by	IN
cord-351222-9bfchw4u	132	41	X	x	NN
cord-351222-9bfchw4u	132	42	-	-	NN
cord-351222-9bfchw4u	132	43	ray	ray	JJ
cord-351222-9bfchw4u	132	44	crystallography	crystallography	NN
cord-351222-9bfchw4u	132	45	or	or	CC
cord-351222-9bfchw4u	132	46	NMR	NMR	NNP
cord-351222-9bfchw4u	132	47	or	or	CC
cord-351222-9bfchw4u	132	48	constructed	construct	VBN
cord-351222-9bfchw4u	132	49	on	on	IN
cord-351222-9bfchw4u	132	50	the	the	DT
cord-351222-9bfchw4u	132	51	basis	basis	NN
cord-351222-9bfchw4u	132	52	of	of	IN
cord-351222-9bfchw4u	132	53	the	the	DT
cord-351222-9bfchw4u	132	54	structure	structure	NN
cord-351222-9bfchw4u	132	55	of	of	IN
cord-351222-9bfchw4u	132	56	homologous	homologous	JJ
cord-351222-9bfchw4u	132	57	proteins	protein	NNS
cord-351222-9bfchw4u	132	58	.	.	.
cord-351222-9bfchw4u	133	1	A	a	DT
cord-351222-9bfchw4u	133	2	unique	unique	JJ
cord-351222-9bfchw4u	133	3	platform	platform	NN
cord-351222-9bfchw4u	133	4	containing	contain	VBG
cord-351222-9bfchw4u	133	5	3D	3D	NNP
cord-351222-9bfchw4u	133	6	coordinates	coordinate	NNS
cord-351222-9bfchw4u	133	7	of	of	IN
cord-351222-9bfchw4u	133	8	experimentally	experimentally	RB
cord-351222-9bfchw4u	133	9	solved	solve	VBN
cord-351222-9bfchw4u	133	10	protein	protein	NN
cord-351222-9bfchw4u	133	11	structures	structure	NNS
cord-351222-9bfchw4u	133	12	is	be	VBZ
cord-351222-9bfchw4u	133	13	the	the	DT
cord-351222-9bfchw4u	133	14	Brookhaven	Brookhaven	NNP
cord-351222-9bfchw4u	133	15	Protein	Protein	NNP
cord-351222-9bfchw4u	133	16	Data	Data	NNP
cord-351222-9bfchw4u	133	17	Bank	Bank	NNP
cord-351222-9bfchw4u	133	18	(	(	-LRB-
cord-351222-9bfchw4u	133	19	PDB	PDB	NNP
cord-351222-9bfchw4u	133	20	[	[	-LRB-
cord-351222-9bfchw4u	133	21	50	50	CD
cord-351222-9bfchw4u	133	22	]	]	-RRB-
cord-351222-9bfchw4u	133	23	)	)	-RRB-
cord-351222-9bfchw4u	133	24	.	.	.
cord-351222-9bfchw4u	134	1	A	a	DT
cord-351222-9bfchw4u	134	2	crystalline	crystalline	NN
cord-351222-9bfchw4u	134	3	complex	complex	NN
cord-351222-9bfchw4u	134	4	with	with	IN
cord-351222-9bfchw4u	134	5	a	a	DT
cord-351222-9bfchw4u	134	6	ligand	ligand	NN
cord-351222-9bfchw4u	134	7	bound	bind	VBN
cord-351222-9bfchw4u	134	8	to	to	IN
cord-351222-9bfchw4u	134	9	a	a	DT
cord-351222-9bfchw4u	134	10	protein	protein	NN
cord-351222-9bfchw4u	134	11	's	's	POS
cord-351222-9bfchw4u	134	12	active	active	JJ
cord-351222-9bfchw4u	134	13	site	site	NN
cord-351222-9bfchw4u	134	14	is	be	VBZ
cord-351222-9bfchw4u	134	15	the	the	DT
cord-351222-9bfchw4u	134	16	best	good	JJS
cord-351222-9bfchw4u	134	17	requirement	requirement	NN
cord-351222-9bfchw4u	134	18	to	to	TO
cord-351222-9bfchw4u	134	19	start	start	VB
cord-351222-9bfchw4u	134	20	the	the	DT
cord-351222-9bfchw4u	134	21	construction	construction	NN
cord-351222-9bfchw4u	134	22	of	of	IN
cord-351222-9bfchw4u	134	23	a	a	DT
cord-351222-9bfchw4u	134	24	structure	structure	NN
cord-351222-9bfchw4u	134	25	-	-	HYPH
cord-351222-9bfchw4u	134	26	based	base	VBN
cord-351222-9bfchw4u	134	27	3D	3d	JJ
cord-351222-9bfchw4u	134	28	model	model	NN
cord-351222-9bfchw4u	134	29	.	.	.
cord-351222-9bfchw4u	135	1	In	in	IN
cord-351222-9bfchw4u	135	2	this	this	DT
cord-351222-9bfchw4u	135	3	case	case	NN
cord-351222-9bfchw4u	135	4	,	,	,
cord-351222-9bfchw4u	135	5	one	one	CD
cord-351222-9bfchw4u	135	6	may	may	MD
cord-351222-9bfchw4u	135	7	profit	profit	VB
cord-351222-9bfchw4u	135	8	from	from	IN
cord-351222-9bfchw4u	135	9	the	the	DT
cord-351222-9bfchw4u	135	10	exact	exact	JJ
cord-351222-9bfchw4u	135	11	information	information	NN
cord-351222-9bfchw4u	135	12	of	of	IN
cord-351222-9bfchw4u	135	13	the	the	DT
cord-351222-9bfchw4u	135	14	ligand	ligand	NN
cord-351222-9bfchw4u	135	15	's	's	POS
cord-351222-9bfchw4u	135	16	bioactive	bioactive	JJ
cord-351222-9bfchw4u	135	17	conformation	conformation	NN
cord-351222-9bfchw4u	135	18	which	which	WDT
cord-351222-9bfchw4u	135	19	is	be	VBZ
cord-351222-9bfchw4u	135	20	preserved	preserve	VBN
cord-351222-9bfchw4u	135	21	in	in	IN
cord-351222-9bfchw4u	135	22	the	the	DT
cord-351222-9bfchw4u	135	23	binding	binding	NN
cord-351222-9bfchw4u	135	24	site	site	NN
cord-351222-9bfchw4u	135	25	of	of	IN
cord-351222-9bfchw4u	135	26	the	the	DT
cord-351222-9bfchw4u	135	27	crystalline	crystalline	JJ
cord-351222-9bfchw4u	135	28	complex	complex	NN
cord-351222-9bfchw4u	135	29	.	.	.
cord-351222-9bfchw4u	136	1	The	the	DT
cord-351222-9bfchw4u	136	2	building	building	NN
cord-351222-9bfchw4u	136	3	of	of	IN
cord-351222-9bfchw4u	136	4	a	a	DT
cord-351222-9bfchw4u	136	5	structure	structure	NN
cord-351222-9bfchw4u	136	6	-	-	HYPH
cord-351222-9bfchw4u	136	7	based	base	VBN
cord-351222-9bfchw4u	136	8	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	136	9	is	be	VBZ
cord-351222-9bfchw4u	136	10	depicted	depict	VBN
cord-351222-9bfchw4u	136	11	in	in	IN
cord-351222-9bfchw4u	136	12	a	a	DT
cord-351222-9bfchw4u	136	13	step	step	NN
cord-351222-9bfchw4u	136	14	by	by	IN
cord-351222-9bfchw4u	136	15	step	step	NN
cord-351222-9bfchw4u	136	16	way	way	NN
cord-351222-9bfchw4u	136	17	in	in	IN
cord-351222-9bfchw4u	136	18	Figure	figure	NN
cord-351222-9bfchw4u	136	19	3	3	CD
cord-351222-9bfchw4u	136	20	.	.	.
cord-351222-9bfchw4u	137	1	A	a	DT
cord-351222-9bfchw4u	137	2	new	new	JJ
cord-351222-9bfchw4u	137	3	software	software	NN
cord-351222-9bfchw4u	137	4	tool	tool	NN
cord-351222-9bfchw4u	137	5	has	have	VBZ
cord-351222-9bfchw4u	137	6	recently	recently	RB
cord-351222-9bfchw4u	137	7	been	be	VBN
cord-351222-9bfchw4u	137	8	described	describe	VBN
cord-351222-9bfchw4u	137	9	for	for	IN
cord-351222-9bfchw4u	137	10	the	the	DT
cord-351222-9bfchw4u	137	11	successful	successful	JJ
cord-351222-9bfchw4u	137	12	generation	generation	NN
cord-351222-9bfchw4u	137	13	of	of	IN
cord-351222-9bfchw4u	137	14	such	such	JJ
cord-351222-9bfchw4u	137	15	chemical	chemical	NN
cord-351222-9bfchw4u	137	16	features	feature	NNS
cord-351222-9bfchw4u	137	17	-	-	HYPH
cord-351222-9bfchw4u	137	18	based	base	VBN
cord-351222-9bfchw4u	137	19	models	model	NNS
cord-351222-9bfchw4u	137	20	:	:	:
cord-351222-9bfchw4u	138	1	The	the	DT
cord-351222-9bfchw4u	138	2	software	software	NN
cord-351222-9bfchw4u	138	3	LIGAND	ligand	NN
cord-351222-9bfchw4u	138	4	-	-	HYPH
cord-351222-9bfchw4u	138	5	SCOUT	scout	NN
cord-351222-9bfchw4u	138	6	[	[	-LRB-
cord-351222-9bfchw4u	138	7	51	51	CD
cord-351222-9bfchw4u	138	8	]	]	-RRB-
cord-351222-9bfchw4u	138	9	is	be	VBZ
cord-351222-9bfchw4u	138	10	a	a	DT
cord-351222-9bfchw4u	138	11	program	program	NN
cord-351222-9bfchw4u	138	12	for	for	IN
cord-351222-9bfchw4u	138	13	ligand	ligand	NN
cord-351222-9bfchw4u	138	14	interpretation	interpretation	NN
cord-351222-9bfchw4u	138	15	and	and	CC
cord-351222-9bfchw4u	138	16	data	datum	NNS
cord-351222-9bfchw4u	138	17	mining	mining	NN
cord-351222-9bfchw4u	138	18	in	in	IN
cord-351222-9bfchw4u	138	19	the	the	DT
cord-351222-9bfchw4u	138	20	PDB	PDB	NNP
cord-351222-9bfchw4u	138	21	.	.	.
cord-351222-9bfchw4u	139	1	The	the	DT
cord-351222-9bfchw4u	139	2	performance	performance	NN
cord-351222-9bfchw4u	139	3	of	of	IN
cord-351222-9bfchw4u	139	4	this	this	DT
cord-351222-9bfchw4u	139	5	program	program	NN
cord-351222-9bfchw4u	139	6	allows	allow	VBZ
cord-351222-9bfchw4u	139	7	the	the	DT
cord-351222-9bfchw4u	139	8	detection	detection	NN
cord-351222-9bfchw4u	139	9	of	of	IN
cord-351222-9bfchw4u	139	10	relevant	relevant	JJ
cord-351222-9bfchw4u	139	11	interaction	interaction	NN
cord-351222-9bfchw4u	139	12	points	point	NNS
cord-351222-9bfchw4u	139	13	between	between	IN
cord-351222-9bfchw4u	139	14	ligand	ligand	NN
cord-351222-9bfchw4u	139	15	and	and	CC
cord-351222-9bfchw4u	139	16	protein	protein	NN
cord-351222-9bfchw4u	139	17	.	.	.
cord-351222-9bfchw4u	140	1	The	the	DT
cord-351222-9bfchw4u	140	2	binding	binding	NN
cord-351222-9bfchw4u	140	3	mode	mode	NN
cord-351222-9bfchw4u	140	4	of	of	IN
cord-351222-9bfchw4u	140	5	the	the	DT
cord-351222-9bfchw4u	140	6	ligand	ligand	NN
cord-351222-9bfchw4u	140	7	in	in	IN
cord-351222-9bfchw4u	140	8	the	the	DT
cord-351222-9bfchw4u	140	9	active	active	JJ
cord-351222-9bfchw4u	140	10	site	site	NN
cord-351222-9bfchw4u	140	11	of	of	IN
cord-351222-9bfchw4u	140	12	a	a	DT
cord-351222-9bfchw4u	140	13	protein	protein	NN
cord-351222-9bfchw4u	140	14	can	can	MD
cord-351222-9bfchw4u	140	15	be	be	VB
cord-351222-9bfchw4u	140	16	visualized	visualize	VBN
cord-351222-9bfchw4u	140	17	in	in	IN
cord-351222-9bfchw4u	140	18	a	a	DT
cord-351222-9bfchw4u	140	19	sophisticated	sophisticated	JJ
cord-351222-9bfchw4u	140	20	way	way	NN
cord-351222-9bfchw4u	140	21	.	.	.
cord-351222-9bfchw4u	141	1	LIGANDSCOUT	LIGANDSCOUT	NNP
cord-351222-9bfchw4u	141	2	's	's	POS
cord-351222-9bfchw4u	141	3	algorithms	algorithm	NNS
cord-351222-9bfchw4u	141	4	perform	perform	VBP
cord-351222-9bfchw4u	141	5	a	a	DT
cord-351222-9bfchw4u	141	6	stepwise	stepwise	JJ
cord-351222-9bfchw4u	141	7	interpretation	interpretation	NN
cord-351222-9bfchw4u	141	8	of	of	IN
cord-351222-9bfchw4u	141	9	the	the	DT
cord-351222-9bfchw4u	141	10	ligand	ligand	NN
cord-351222-9bfchw4u	141	11	molecules	molecule	NNS
cord-351222-9bfchw4u	141	12	:	:	:
cord-351222-9bfchw4u	141	13	Planar	planar	JJ
cord-351222-9bfchw4u	141	14	ring	ring	NN
cord-351222-9bfchw4u	141	15	detection	detection	NN
cord-351222-9bfchw4u	141	16	,	,	,
cord-351222-9bfchw4u	141	17	assignment	assignment	NN
cord-351222-9bfchw4u	141	18	of	of	IN
cord-351222-9bfchw4u	141	19	functional	functional	JJ
cord-351222-9bfchw4u	141	20	group	group	NN
cord-351222-9bfchw4u	141	21	patterns	pattern	NNS
cord-351222-9bfchw4u	141	22	,	,	,
cord-351222-9bfchw4u	141	23	determination	determination	NN
cord-351222-9bfchw4u	141	24	of	of	IN
cord-351222-9bfchw4u	141	25	the	the	DT
cord-351222-9bfchw4u	141	26	hybridization	hybridization	NN
cord-351222-9bfchw4u	141	27	state	state	NN
cord-351222-9bfchw4u	141	28	and	and	CC
cord-351222-9bfchw4u	141	29	finally	finally	RB
cord-351222-9bfchw4u	141	30	the	the	DT
cord-351222-9bfchw4u	141	31	assignment	assignment	NN
cord-351222-9bfchw4u	141	32	of	of	IN
cord-351222-9bfchw4u	141	33	Kekulé	Kekulé	NNP
cord-351222-9bfchw4u	141	34	pattern	pattern	NN
cord-351222-9bfchw4u	141	35	.	.	.
cord-351222-9bfchw4u	142	1	The	the	DT
cord-351222-9bfchw4u	142	2	interpretation	interpretation	NN
cord-351222-9bfchw4u	142	3	of	of	IN
cord-351222-9bfchw4u	142	4	the	the	DT
cord-351222-9bfchw4u	142	5	ligand	ligand	NN
cord-351222-9bfchw4u	142	6	molecules	molecule	NNS
cord-351222-9bfchw4u	142	7	is	be	VBZ
cord-351222-9bfchw4u	142	8	the	the	DT
cord-351222-9bfchw4u	142	9	basis	basis	NN
cord-351222-9bfchw4u	142	10	for	for	IN
cord-351222-9bfchw4u	142	11	the	the	DT
cord-351222-9bfchw4u	142	12	next	next	JJ
cord-351222-9bfchw4u	142	13	step	step	NN
cord-351222-9bfchw4u	142	14	,	,	,
cord-351222-9bfchw4u	142	15	an	an	DT
cord-351222-9bfchw4u	142	16	automated	automate	VBN
cord-351222-9bfchw4u	142	17	generation	generation	NN
cord-351222-9bfchw4u	142	18	of	of	IN
cord-351222-9bfchw4u	142	19	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	142	20	models	model	NNS
cord-351222-9bfchw4u	142	21	,	,	,
cord-351222-9bfchw4u	142	22	derived	derive	VBN
cord-351222-9bfchw4u	142	23	from	from	IN
cord-351222-9bfchw4u	142	24	the	the	DT
cord-351222-9bfchw4u	142	25	data	datum	NNS
cord-351222-9bfchw4u	142	26	provided	provide	VBN
cord-351222-9bfchw4u	142	27	by	by	IN
cord-351222-9bfchw4u	142	28	a	a	DT
cord-351222-9bfchw4u	142	29	crystalline	crystalline	JJ
cord-351222-9bfchw4u	142	30	complex	complex	NN
cord-351222-9bfchw4u	142	31	of	of	IN
cord-351222-9bfchw4u	142	32	the	the	DT
cord-351222-9bfchw4u	142	33	PDB	PDB	NNP
cord-351222-9bfchw4u	142	34	.	.	.
cord-351222-9bfchw4u	143	1	An	an	DT
cord-351222-9bfchw4u	143	2	automatic	automatic	JJ
cord-351222-9bfchw4u	143	3	detection	detection	NN
cord-351222-9bfchw4u	143	4	and	and	CC
cord-351222-9bfchw4u	143	5	classification	classification	NN
cord-351222-9bfchw4u	143	6	of	of	IN
cord-351222-9bfchw4u	143	7	protein	protein	NN
cord-351222-9bfchw4u	143	8	-	-	HYPH
cord-351222-9bfchw4u	143	9	ligand	ligand	NN
cord-351222-9bfchw4u	143	10	interactions	interaction	NNS
cord-351222-9bfchw4u	143	11	into	into	IN
cord-351222-9bfchw4u	143	12	hydrogen	hydrogen	NN
cord-351222-9bfchw4u	143	13	bonds	bond	NNS
cord-351222-9bfchw4u	143	14	,	,	,
cord-351222-9bfchw4u	143	15	charge	charge	NN
cord-351222-9bfchw4u	143	16	transfer	transfer	NN
cord-351222-9bfchw4u	143	17	,	,	,
cord-351222-9bfchw4u	143	18	and	and	CC
cord-351222-9bfchw4u	143	19	lipophilic	lipophilic	JJ
cord-351222-9bfchw4u	143	20	regions	region	NNS
cord-351222-9bfchw4u	143	21	leads	lead	VBZ
cord-351222-9bfchw4u	143	22	to	to	IN
cord-351222-9bfchw4u	143	23	a	a	DT
cord-351222-9bfchw4u	143	24	collection	collection	NN
cord-351222-9bfchw4u	143	25	of	of	IN
cord-351222-9bfchw4u	143	26	chemical	chemical	NN
cord-351222-9bfchw4u	143	27	features	feature	NNS
cord-351222-9bfchw4u	143	28	in	in	IN
cord-351222-9bfchw4u	143	29	a	a	DT
cord-351222-9bfchw4u	143	30	pharmacophore	pharmacophore	JJ
cord-351222-9bfchw4u	143	31	model	model	NN
cord-351222-9bfchw4u	143	32	.	.	.
cord-351222-9bfchw4u	144	1	The	the	DT
cord-351222-9bfchw4u	144	2	graphical	graphical	JJ
cord-351222-9bfchw4u	144	3	user	user	NN
cord-351222-9bfchw4u	144	4	-	-	HYPH
cord-351222-9bfchw4u	144	5	interface	interface	NN
cord-351222-9bfchw4u	144	6	can	can	MD
cord-351222-9bfchw4u	144	7	provide	provide	VB
cord-351222-9bfchw4u	144	8	an	an	DT
cord-351222-9bfchw4u	144	9	integrated	integrated	JJ
cord-351222-9bfchw4u	144	10	view	view	NN
cord-351222-9bfchw4u	144	11	of	of	IN
cord-351222-9bfchw4u	144	12	protein	protein	NN
cord-351222-9bfchw4u	144	13	,	,	,
cord-351222-9bfchw4u	144	14	ligand	ligand	NN
cord-351222-9bfchw4u	144	15	,	,	,
cord-351222-9bfchw4u	144	16	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	144	17	model	model	NN
cord-351222-9bfchw4u	144	18	,	,	,
cord-351222-9bfchw4u	144	19	and	and	CC
cord-351222-9bfchw4u	144	20	interaction	interaction	NN
cord-351222-9bfchw4u	144	21	lines	line	NNS
cord-351222-9bfchw4u	144	22	.	.	.
cord-351222-9bfchw4u	145	1	In	in	IN
cord-351222-9bfchw4u	145	2	a	a	DT
cord-351222-9bfchw4u	145	3	previously	previously	RB
cord-351222-9bfchw4u	145	4	published	publish	VBN
cord-351222-9bfchw4u	145	5	study	study	NN
cord-351222-9bfchw4u	145	6	,	,	,
cord-351222-9bfchw4u	145	7	LIGANDSCOUT	LIGANDSCOUT	NNP
cord-351222-9bfchw4u	145	8	was	be	VBD
cord-351222-9bfchw4u	145	9	used	use	VBN
cord-351222-9bfchw4u	145	10	for	for	IN
cord-351222-9bfchw4u	145	11	the	the	DT
cord-351222-9bfchw4u	145	12	detection	detection	NN
cord-351222-9bfchw4u	145	13	and	and	CC
cord-351222-9bfchw4u	145	14	interpretation	interpretation	NN
cord-351222-9bfchw4u	145	15	of	of	IN
cord-351222-9bfchw4u	145	16	crucial	crucial	JJ
cord-351222-9bfchw4u	145	17	interaction	interaction	NN
cord-351222-9bfchw4u	145	18	patterns	pattern	NNS
cord-351222-9bfchw4u	145	19	between	between	IN
cord-351222-9bfchw4u	145	20	ligands	ligand	NNS
cord-351222-9bfchw4u	145	21	and	and	CC
cord-351222-9bfchw4u	145	22	the	the	DT
cord-351222-9bfchw4u	145	23	factor	factor	NN
cord-351222-9bfchw4u	145	24	Xa	Xa	NNP
cord-351222-9bfchw4u	145	25	protein	protein	NN
cord-351222-9bfchw4u	145	26	structure	structure	NN
cord-351222-9bfchw4u	145	27	[	[	-LRB-
cord-351222-9bfchw4u	145	28	52	52	CD
cord-351222-9bfchw4u	145	29	]	]	-RRB-
cord-351222-9bfchw4u	145	30	.	.	.
cord-351222-9bfchw4u	146	1	In	in	IN
cord-351222-9bfchw4u	146	2	a	a	DT
cord-351222-9bfchw4u	146	3	second	second	JJ
cord-351222-9bfchw4u	146	4	step	step	NN
cord-351222-9bfchw4u	146	5	,	,	,
cord-351222-9bfchw4u	146	6	the	the	DT
cord-351222-9bfchw4u	146	7	program	program	NN
cord-351222-9bfchw4u	146	8	CATALYST	catalyst	NN
cord-351222-9bfchw4u	146	9	,	,	,
cord-351222-9bfchw4u	146	10	a	a	DT
cord-351222-9bfchw4u	146	11	state	state	NN
cord-351222-9bfchw4u	146	12	of	of	IN
cord-351222-9bfchw4u	146	13	the	the	DT
cord-351222-9bfchw4u	146	14	art	art	NN
cord-351222-9bfchw4u	146	15	virtual	virtual	JJ
cord-351222-9bfchw4u	146	16	screening	screening	NN
cord-351222-9bfchw4u	146	17	platform	platform	NN
cord-351222-9bfchw4u	146	18	,	,	,
cord-351222-9bfchw4u	146	19	was	be	VBD
cord-351222-9bfchw4u	146	20	used	use	VBN
cord-351222-9bfchw4u	146	21	for	for	IN
cord-351222-9bfchw4u	146	22	rapid	rapid	JJ
cord-351222-9bfchw4u	146	23	virtual	virtual	JJ
cord-351222-9bfchw4u	146	24	screening	screening	NN
cord-351222-9bfchw4u	146	25	of	of	IN
cord-351222-9bfchw4u	146	26	multiconformational	multiconformational	NNP
cord-351222-9bfchw4u	146	27	3D	3D	NNP
cord-351222-9bfchw4u	146	28	structure	structure	NN
cord-351222-9bfchw4u	146	29	databases	database	NNS
cord-351222-9bfchw4u	146	30	.	.	.
cord-351222-9bfchw4u	147	1	The	the	DT
cord-351222-9bfchw4u	147	2	information	information	NN
cord-351222-9bfchw4u	147	3	for	for	IN
cord-351222-9bfchw4u	147	4	the	the	DT
cord-351222-9bfchw4u	147	5	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	147	6	pattern	pattern	NN
cord-351222-9bfchw4u	147	7	(	(	-LRB-
cord-351222-9bfchw4u	147	8	i.e.	i.e.	FW
cord-351222-9bfchw4u	147	9	,	,	,
cord-351222-9bfchw4u	147	10	3D	3D	NNP
cord-351222-9bfchw4u	147	11	coordinates	coordinate	NNS
cord-351222-9bfchw4u	147	12	of	of	IN
cord-351222-9bfchw4u	147	13	interaction	interaction	NN
cord-351222-9bfchw4u	147	14	points	point	NNS
cord-351222-9bfchw4u	147	15	)	)	-RRB-
cord-351222-9bfchw4u	147	16	was	be	VBD
cord-351222-9bfchw4u	147	17	obtained	obtain	VBN
cord-351222-9bfchw4u	147	18	by	by	IN
cord-351222-9bfchw4u	147	19	the	the	DT
cord-351222-9bfchw4u	147	20	interpretation	interpretation	NN
cord-351222-9bfchw4u	147	21	of	of	IN
cord-351222-9bfchw4u	147	22	LIGANDSCOUT	LIGANDSCOUT	NNP
cord-351222-9bfchw4u	147	23	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	147	24	definitions	definition	NNS
cord-351222-9bfchw4u	147	25	and	and	CC
cord-351222-9bfchw4u	147	26	resulted	result	VBD
cord-351222-9bfchw4u	147	27	in	in	IN
cord-351222-9bfchw4u	147	28	specific	specific	JJ
cord-351222-9bfchw4u	147	29	interaction	interaction	NN
cord-351222-9bfchw4u	147	30	models	model	NNS
cord-351222-9bfchw4u	147	31	that	that	WDT
cord-351222-9bfchw4u	147	32	were	be	VBD
cord-351222-9bfchw4u	147	33	able	able	JJ
cord-351222-9bfchw4u	147	34	to	to	TO
cord-351222-9bfchw4u	147	35	map	map	VB
cord-351222-9bfchw4u	147	36	the	the	DT
cord-351222-9bfchw4u	147	37	ligand	ligand	NN
cord-351222-9bfchw4u	147	38	in	in	IN
cord-351222-9bfchw4u	147	39	their	-PRON-	PRP$
cord-351222-9bfchw4u	147	40	bioactive	bioactive	JJ
cord-351222-9bfchw4u	147	41	conformation	conformation	NN
cord-351222-9bfchw4u	147	42	and	and	CC
cord-351222-9bfchw4u	147	43	to	to	TO
cord-351222-9bfchw4u	147	44	retrieve	retrieve	VB
cord-351222-9bfchw4u	147	45	selectively	selectively	RB
cord-351222-9bfchw4u	147	46	a	a	DT
cord-351222-9bfchw4u	147	47	78	78	CD
cord-351222-9bfchw4u	147	48	%	%	NN
cord-351222-9bfchw4u	147	49	fraction	fraction	NN
cord-351222-9bfchw4u	147	50	of	of	IN
cord-351222-9bfchw4u	147	51	the	the	DT
cord-351222-9bfchw4u	147	52	known	know	VBN
cord-351222-9bfchw4u	147	53	factor	factor	NN
cord-351222-9bfchw4u	147	54	Xa	Xa	NNP
cord-351222-9bfchw4u	147	55	inhibitors	inhibitor	NNS
cord-351222-9bfchw4u	147	56	within	within	IN
cord-351222-9bfchw4u	147	57	a	a	DT
cord-351222-9bfchw4u	147	58	small	small	JJ
cord-351222-9bfchw4u	147	59	subset	subset	NN
cord-351222-9bfchw4u	147	60	of	of	IN
cord-351222-9bfchw4u	147	61	the	the	DT
cord-351222-9bfchw4u	147	62	large	large	JJ
cord-351222-9bfchw4u	147	63	Derwent	Derwent	NNP
cord-351222-9bfchw4u	147	64	World	World	NNP
cord-351222-9bfchw4u	147	65	Drug	Drug	NNP
cord-351222-9bfchw4u	147	66	Index	Index	NNP
cord-351222-9bfchw4u	147	67	library	library	NN
cord-351222-9bfchw4u	147	68	.	.	.
cord-351222-9bfchw4u	148	1	A	a	DT
cord-351222-9bfchw4u	148	2	further	further	JJ
cord-351222-9bfchw4u	148	3	application	application	NN
cord-351222-9bfchw4u	148	4	of	of	IN
cord-351222-9bfchw4u	148	5	the	the	DT
cord-351222-9bfchw4u	148	6	LIGANDSCOUT	LIGANDSCOUT	NNP
cord-351222-9bfchw4u	148	7	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	148	8	definitions	definition	NNS
cord-351222-9bfchw4u	148	9	covers	cover	VBZ
cord-351222-9bfchw4u	148	10	the	the	DT
cord-351222-9bfchw4u	148	11	rationalized	rationalize	VBN
cord-351222-9bfchw4u	148	12	search	search	NN
cord-351222-9bfchw4u	148	13	for	for	IN
cord-351222-9bfchw4u	148	14	angiotensin	angiotensin	NN
cord-351222-9bfchw4u	148	15	converting	convert	VBG
cord-351222-9bfchw4u	148	16	enzyme	enzyme	NN
cord-351222-9bfchw4u	148	17	(	(	-LRB-
cord-351222-9bfchw4u	148	18	ACE)-2	ace)-2	NN
cord-351222-9bfchw4u	148	19	inhibitors	inhibitor	NNS
cord-351222-9bfchw4u	148	20	by	by	IN
cord-351222-9bfchw4u	148	21	virtual	virtual	JJ
cord-351222-9bfchw4u	148	22	screening	screening	NN
cord-351222-9bfchw4u	148	23	of	of	IN
cord-351222-9bfchw4u	148	24	approximately	approximately	RB
cord-351222-9bfchw4u	148	25	3.8	3.8	CD
cord-351222-9bfchw4u	148	26	million	million	CD
cord-351222-9bfchw4u	148	27	compounds	compound	NNS
cord-351222-9bfchw4u	148	28	from	from	IN
cord-351222-9bfchw4u	148	29	various	various	JJ
cord-351222-9bfchw4u	148	30	commercial	commercial	JJ
cord-351222-9bfchw4u	148	31	databases	database	NNS
cord-351222-9bfchw4u	148	32	[	[	-LRB-
cord-351222-9bfchw4u	148	33	53	53	CD
cord-351222-9bfchw4u	148	34	]	]	-RRB-
cord-351222-9bfchw4u	148	35	.	.	.
cord-351222-9bfchw4u	149	1	Hit	hit	VB
cord-351222-9bfchw4u	149	2	reduction	reduction	NN
cord-351222-9bfchw4u	149	3	and	and	CC
cord-351222-9bfchw4u	149	4	selection	selection	NN
cord-351222-9bfchw4u	149	5	was	be	VBD
cord-351222-9bfchw4u	149	6	achieved	achieve	VBN
cord-351222-9bfchw4u	149	7	using	use	VBG
cord-351222-9bfchw4u	149	8	a	a	DT
cord-351222-9bfchw4u	149	9	five	five	CD
cord-351222-9bfchw4u	149	10	feature	feature	NN
cord-351222-9bfchw4u	149	11	hypothesis	hypothesis	NN
cord-351222-9bfchw4u	149	12	based	base	VBN
cord-351222-9bfchw4u	149	13	on	on	IN
cord-351222-9bfchw4u	149	14	a	a	DT
cord-351222-9bfchw4u	149	15	recently	recently	RB
cord-351222-9bfchw4u	149	16	resolved	resolve	VBN
cord-351222-9bfchw4u	149	17	inhibitor	inhibitor	NN
cord-351222-9bfchw4u	149	18	-	-	HYPH
cord-351222-9bfchw4u	149	19	bound	bind	VBN
cord-351222-9bfchw4u	149	20	ACE2	ACE2	NNP
cord-351222-9bfchw4u	149	21	crystal	crystal	NN
cord-351222-9bfchw4u	149	22	structure	structure	NN
cord-351222-9bfchw4u	149	23	.	.	.
cord-351222-9bfchw4u	150	1	Seventeen	seventeen	CD
cord-351222-9bfchw4u	150	2	virtual	virtual	JJ
cord-351222-9bfchw4u	150	3	hits	hit	NNS
cord-351222-9bfchw4u	150	4	were	be	VBD
cord-351222-9bfchw4u	150	5	selected	select	VBN
cord-351222-9bfchw4u	150	6	for	for	IN
cord-351222-9bfchw4u	150	7	their	-PRON-	PRP$
cord-351222-9bfchw4u	150	8	experimental	experimental	JJ
cord-351222-9bfchw4u	150	9	validation	validation	NN
cord-351222-9bfchw4u	150	10	in	in	IN
cord-351222-9bfchw4u	150	11	a	a	DT
cord-351222-9bfchw4u	150	12	bioassay	bioassay	NN
cord-351222-9bfchw4u	150	13	;	;	:
cord-351222-9bfchw4u	150	14	the	the	DT
cord-351222-9bfchw4u	150	15	concept	concept	NN
cord-351222-9bfchw4u	150	16	was	be	VBD
cord-351222-9bfchw4u	150	17	confirmed	confirm	VBN
cord-351222-9bfchw4u	150	18	since	since	IN
cord-351222-9bfchw4u	150	19	all	all	DT
cord-351222-9bfchw4u	150	20	of	of	IN
cord-351222-9bfchw4u	150	21	them	-PRON-	PRP
cord-351222-9bfchw4u	150	22	were	be	VBD
cord-351222-9bfchw4u	150	23	revealed	reveal	VBN
cord-351222-9bfchw4u	150	24	as	as	IN
cord-351222-9bfchw4u	150	25	ACE-2	ACE-2	NNP
cord-351222-9bfchw4u	150	26	inhibitors	inhibitor	NNS
cord-351222-9bfchw4u	150	27	.	.	.
cord-351222-9bfchw4u	151	1	Barreca	Barreca	NNP
cord-351222-9bfchw4u	151	2	and	and	CC
cord-351222-9bfchw4u	151	3	co	co	NNS
cord-351222-9bfchw4u	151	4	-	-	NNS
cord-351222-9bfchw4u	151	5	authors	author	NNS
cord-351222-9bfchw4u	151	6	developed	develop	VBD
cord-351222-9bfchw4u	151	7	a	a	DT
cord-351222-9bfchw4u	151	8	3D	3d	JJ
cord-351222-9bfchw4u	151	9	structure	structure	NN
cord-351222-9bfchw4u	151	10	-	-	HYPH
cord-351222-9bfchw4u	151	11	based	base	VBN
cord-351222-9bfchw4u	151	12	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	151	13	model	model	NN
cord-351222-9bfchw4u	151	14	with	with	IN
cord-351222-9bfchw4u	151	15	LIGANDSCOUT	LIGANDSCOUT	NNP
cord-351222-9bfchw4u	151	16	for	for	IN
cord-351222-9bfchw4u	151	17	the	the	DT
cord-351222-9bfchw4u	151	18	discovery	discovery	NN
cord-351222-9bfchw4u	151	19	of	of	IN
cord-351222-9bfchw4u	151	20	new	new	JJ
cord-351222-9bfchw4u	151	21	scaffolds	scaffold	NNS
cord-351222-9bfchw4u	151	22	acting	act	VBG
cord-351222-9bfchw4u	151	23	as	as	IN
cord-351222-9bfchw4u	151	24	HIV-1	HIV-1	NNP
cord-351222-9bfchw4u	151	25	non	non	JJ
cord-351222-9bfchw4u	151	26	-	-	JJ
cord-351222-9bfchw4u	151	27	nucleoside	nucleoside	JJ
cord-351222-9bfchw4u	151	28	reverse	reverse	JJ
cord-351222-9bfchw4u	151	29	transcriptase	transcriptase	NN
cord-351222-9bfchw4u	151	30	inhibitors	inhibitor	NNS
cord-351222-9bfchw4u	151	31	by	by	IN
cord-351222-9bfchw4u	151	32	virtual	virtual	JJ
cord-351222-9bfchw4u	151	33	screening	screening	NN
cord-351222-9bfchw4u	151	34	of	of	IN
cord-351222-9bfchw4u	151	35	large	large	JJ
cord-351222-9bfchw4u	151	36	chemical	chemical	NN
cord-351222-9bfchw4u	151	37	databases	database	NNS
cord-351222-9bfchw4u	151	38	.	.	.
cord-351222-9bfchw4u	152	1	Six	six	CD
cord-351222-9bfchw4u	152	2	virtual	virtual	JJ
cord-351222-9bfchw4u	152	3	hits	hit	NNS
cord-351222-9bfchw4u	152	4	were	be	VBD
cord-351222-9bfchw4u	152	5	finally	finally	RB
cord-351222-9bfchw4u	152	6	selected	select	VBN
cord-351222-9bfchw4u	152	7	for	for	IN
cord-351222-9bfchw4u	152	8	determination	determination	NN
cord-351222-9bfchw4u	152	9	of	of	IN
cord-351222-9bfchw4u	152	10	their	-PRON-	PRP$
cord-351222-9bfchw4u	152	11	inhibitory	inhibitory	JJ
cord-351222-9bfchw4u	152	12	effects	effect	NNS
cord-351222-9bfchw4u	152	13	.	.	.
cord-351222-9bfchw4u	153	1	Those	those	DT
cord-351222-9bfchw4u	153	2	belonging	belong	VBG
cord-351222-9bfchw4u	153	3	to	to	IN
cord-351222-9bfchw4u	153	4	the	the	DT
cord-351222-9bfchw4u	153	5	new	new	JJ
cord-351222-9bfchw4u	153	6	scaffold	scaffold	NN
cord-351222-9bfchw4u	153	7	class	class	NN
cord-351222-9bfchw4u	153	8	of	of	IN
cord-351222-9bfchw4u	153	9	the	the	DT
cord-351222-9bfchw4u	153	10	quinolin-2(1H)-one	quinolin-2(1H)-one	NNP
cord-351222-9bfchw4u	153	11	family	family	NN
cord-351222-9bfchw4u	153	12	exhibited	exhibit	VBD
cord-351222-9bfchw4u	153	13	reverse	reverse	JJ
cord-351222-9bfchw4u	153	14	transcriptase	transcriptase	NN
cord-351222-9bfchw4u	153	15	inhibitory	inhibitory	JJ
cord-351222-9bfchw4u	153	16	activity	activity	NN
cord-351222-9bfchw4u	153	17	at	at	IN
cord-351222-9bfchw4u	153	18	sub	sub	JJ
cord-351222-9bfchw4u	153	19	-	-	JJ
cord-351222-9bfchw4u	153	20	micromolar	micromolar	JJ
cord-351222-9bfchw4u	153	21	concentrations	concentration	NNS
cord-351222-9bfchw4u	153	22	[	[	-LRB-
cord-351222-9bfchw4u	153	23	54	54	CD
cord-351222-9bfchw4u	153	24	]	]	-RRB-
cord-351222-9bfchw4u	153	25	.	.	.
cord-351222-9bfchw4u	154	1	In	in	IN
cord-351222-9bfchw4u	154	2	a	a	DT
cord-351222-9bfchw4u	154	3	recently	recently	RB
cord-351222-9bfchw4u	154	4	published	publish	VBN
cord-351222-9bfchw4u	154	5	work	work	NN
cord-351222-9bfchw4u	154	6	,	,	,
cord-351222-9bfchw4u	154	7	Schuster	Schuster	NNP
cord-351222-9bfchw4u	154	8	et	et	NNP
cord-351222-9bfchw4u	154	9	al	al	NNP
cord-351222-9bfchw4u	154	10	.	.	NNP
cord-351222-9bfchw4u	154	11	presented	present	VBD
cord-351222-9bfchw4u	154	12	a	a	DT
cord-351222-9bfchw4u	154	13	so	so	RB
cord-351222-9bfchw4u	154	14	-	-	HYPH
cord-351222-9bfchw4u	154	15	called	call	VBN
cord-351222-9bfchw4u	154	16	cytochrome	cytochrome	NN
cord-351222-9bfchw4u	154	17	P450	p450	NN
cord-351222-9bfchw4u	154	18	profiler	profiler	NN
cord-351222-9bfchw4u	154	19	[	[	-LRB-
cord-351222-9bfchw4u	154	20	55	55	CD
cord-351222-9bfchw4u	154	21	]	]	-RRB-
cord-351222-9bfchw4u	154	22	.	.	.
cord-351222-9bfchw4u	155	1	Several	several	JJ
cord-351222-9bfchw4u	155	2	structure	structure	NN
cord-351222-9bfchw4u	155	3	-	-	HYPH
cord-351222-9bfchw4u	155	4	based	base	VBN
cord-351222-9bfchw4u	155	5	(	(	-LRB-
cord-351222-9bfchw4u	155	6	generated	generate	VBN
cord-351222-9bfchw4u	155	7	with	with	IN
cord-351222-9bfchw4u	155	8	LIGANDSCOUT	LIGANDSCOUT	NNP
cord-351222-9bfchw4u	155	9	)	)	-RRB-
cord-351222-9bfchw4u	155	10	and	and	CC
cord-351222-9bfchw4u	155	11	ligand	ligand	NN
cord-351222-9bfchw4u	155	12	-	-	HYPH
cord-351222-9bfchw4u	155	13	based	base	VBN
cord-351222-9bfchw4u	155	14	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	155	15	models	model	NNS
cord-351222-9bfchw4u	155	16	(	(	-LRB-
cord-351222-9bfchw4u	155	17	using	use	VBG
cord-351222-9bfchw4u	155	18	CATA	CATA	NNP
cord-351222-9bfchw4u	155	19	-	-	HYPH
cord-351222-9bfchw4u	155	20	LYST	LYST	NNP
cord-351222-9bfchw4u	155	21	)	)	-RRB-
cord-351222-9bfchw4u	155	22	for	for	IN
cord-351222-9bfchw4u	155	23	substrates	substrate	NNS
cord-351222-9bfchw4u	155	24	and	and	CC
cord-351222-9bfchw4u	155	25	inhibitors	inhibitor	NNS
cord-351222-9bfchw4u	155	26	of	of	IN
cord-351222-9bfchw4u	155	27	five	five	CD
cord-351222-9bfchw4u	155	28	cytochrome	cytochrome	NN
cord-351222-9bfchw4u	155	29	P450	p450	JJ
cord-351222-9bfchw4u	155	30	isoenzymes	isoenzyme	NNS
cord-351222-9bfchw4u	155	31	(	(	-LRB-
cord-351222-9bfchw4u	155	32	1A2	1a2	CD
cord-351222-9bfchw4u	155	33	,	,	,
cord-351222-9bfchw4u	155	34	P450	p450	JJ
cord-351222-9bfchw4u	155	35	2C9	2c9	CD
cord-351222-9bfchw4u	155	36	,	,	,
cord-351222-9bfchw4u	155	37	P450	p450	JJ
cord-351222-9bfchw4u	155	38	2C19	2c19	CD
cord-351222-9bfchw4u	155	39	,	,	,
cord-351222-9bfchw4u	155	40	P450	p450	JJ
cord-351222-9bfchw4u	155	41	2D6	2d6	CD
cord-351222-9bfchw4u	155	42	,	,	,
cord-351222-9bfchw4u	155	43	and	and	CC
cord-351222-9bfchw4u	155	44	P450	P450	NNPS
cord-351222-9bfchw4u	155	45	3A4	3a4	CD
cord-351222-9bfchw4u	155	46	)	)	-RRB-
cord-351222-9bfchw4u	155	47	were	be	VBD
cord-351222-9bfchw4u	155	48	created	create	VBN
cord-351222-9bfchw4u	155	49	and	and	CC
cord-351222-9bfchw4u	155	50	validated	validate	VBN
cord-351222-9bfchw4u	155	51	by	by	IN
cord-351222-9bfchw4u	155	52	the	the	DT
cord-351222-9bfchw4u	155	53	authors	author	NNS
cord-351222-9bfchw4u	155	54	'	'	POS
cord-351222-9bfchw4u	155	55	group	group	NN
cord-351222-9bfchw4u	155	56	.	.	.
cord-351222-9bfchw4u	156	1	Their	-PRON-	PRP$
cord-351222-9bfchw4u	156	2	results	result	NNS
cord-351222-9bfchw4u	156	3	showed	show	VBD
cord-351222-9bfchw4u	156	4	that	that	IN
cord-351222-9bfchw4u	156	5	the	the	DT
cord-351222-9bfchw4u	156	6	models	model	NNS
cord-351222-9bfchw4u	156	7	were	be	VBD
cord-351222-9bfchw4u	156	8	suitable	suitable	JJ
cord-351222-9bfchw4u	156	9	for	for	IN
cord-351222-9bfchw4u	156	10	fast	fast	JJ
cord-351222-9bfchw4u	156	11	pharmacokinetic	pharmacokinetic	JJ
cord-351222-9bfchw4u	156	12	profiling	profiling	NN
cord-351222-9bfchw4u	156	13	of	of	IN
cord-351222-9bfchw4u	156	14	large	large	JJ
cord-351222-9bfchw4u	156	15	drug	drug	NN
cord-351222-9bfchw4u	156	16	-	-	HYPH
cord-351222-9bfchw4u	156	17	like	like	JJ
cord-351222-9bfchw4u	156	18	databases	database	NNS
cord-351222-9bfchw4u	156	19	.	.	.
cord-351222-9bfchw4u	157	1	In	in	IN
cord-351222-9bfchw4u	157	2	this	this	DT
cord-351222-9bfchw4u	157	3	context	context	NN
cord-351222-9bfchw4u	157	4	the	the	DT
cord-351222-9bfchw4u	157	5	parallel	parallel	JJ
cord-351222-9bfchw4u	157	6	screening	screening	NN
cord-351222-9bfchw4u	157	7	is	be	VBZ
cord-351222-9bfchw4u	157	8	of	of	IN
cord-351222-9bfchw4u	157	9	particular	particular	JJ
cord-351222-9bfchw4u	157	10	interest	interest	NN
cord-351222-9bfchw4u	157	11	.	.	.
cord-351222-9bfchw4u	158	1	Whereas	whereas	IN
cord-351222-9bfchw4u	158	2	in	in	IN
cord-351222-9bfchw4u	158	3	usual	usual	JJ
cord-351222-9bfchw4u	158	4	virtual	virtual	JJ
cord-351222-9bfchw4u	158	5	screening	screening	NN
cord-351222-9bfchw4u	158	6	cycles	cycle	NNS
cord-351222-9bfchw4u	158	7	interactions	interaction	NNS
cord-351222-9bfchw4u	158	8	of	of	IN
cord-351222-9bfchw4u	158	9	thousands	thousand	NNS
cord-351222-9bfchw4u	158	10	or	or	CC
cord-351222-9bfchw4u	158	11	even	even	RB
cord-351222-9bfchw4u	158	12	millions	million	NNS
cord-351222-9bfchw4u	158	13	of	of	IN
cord-351222-9bfchw4u	158	14	3D	3d	JJ
cord-351222-9bfchw4u	158	15	database	database	NN
cord-351222-9bfchw4u	158	16	entries	entry	NNS
cord-351222-9bfchw4u	158	17	are	be	VBP
cord-351222-9bfchw4u	158	18	browsed	browse	VBN
cord-351222-9bfchw4u	158	19	against	against	IN
cord-351222-9bfchw4u	158	20	one	one	CD
cord-351222-9bfchw4u	158	21	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	158	22	model	model	NN
cord-351222-9bfchw4u	158	23	,	,	,
cord-351222-9bfchw4u	158	24	it	-PRON-	PRP
cord-351222-9bfchw4u	158	25	is	be	VBZ
cord-351222-9bfchw4u	158	26	contrary	contrary	JJ
cord-351222-9bfchw4u	158	27	in	in	IN
cord-351222-9bfchw4u	158	28	the	the	DT
cord-351222-9bfchw4u	158	29	case	case	NN
cord-351222-9bfchw4u	158	30	of	of	IN
cord-351222-9bfchw4u	158	31	parallel	parallel	JJ
cord-351222-9bfchw4u	158	32	screening	screening	NN
cord-351222-9bfchw4u	158	33	;	;	:
cord-351222-9bfchw4u	158	34	low	low	JJ
cord-351222-9bfchw4u	158	35	-	-	HYPH
cord-351222-9bfchw4u	158	36	energetic	energetic	JJ
cord-351222-9bfchw4u	158	37	conformers	conformer	NNS
cord-351222-9bfchw4u	158	38	of	of	IN
cord-351222-9bfchw4u	158	39	one	one	CD
cord-351222-9bfchw4u	158	40	structure	structure	NN
cord-351222-9bfchw4u	158	41	are	be	VBP
cord-351222-9bfchw4u	158	42	screened	screen	VBN
cord-351222-9bfchw4u	158	43	for	for	IN
cord-351222-9bfchw4u	158	44	their	-PRON-	PRP$
cord-351222-9bfchw4u	158	45	potential	potential	JJ
cord-351222-9bfchw4u	158	46	interactions	interaction	NNS
cord-351222-9bfchw4u	158	47	against	against	IN
cord-351222-9bfchw4u	158	48	numerous	numerous	JJ
cord-351222-9bfchw4u	158	49	models	model	NNS
cord-351222-9bfchw4u	158	50	.	.	.
cord-351222-9bfchw4u	159	1	The	the	DT
cord-351222-9bfchw4u	159	2	basics	basic	NNS
cord-351222-9bfchw4u	159	3	of	of	IN
cord-351222-9bfchw4u	159	4	parallel	parallel	JJ
cord-351222-9bfchw4u	159	5	screening	screening	NN
cord-351222-9bfchw4u	159	6	have	have	VBP
cord-351222-9bfchw4u	159	7	just	just	RB
cord-351222-9bfchw4u	159	8	recently	recently	RB
cord-351222-9bfchw4u	159	9	been	be	VBN
cord-351222-9bfchw4u	159	10	presented	present	VBN
cord-351222-9bfchw4u	159	11	by	by	IN
cord-351222-9bfchw4u	159	12	Steindl	Steindl	NNP
cord-351222-9bfchw4u	159	13	and	and	CC
cord-351222-9bfchw4u	159	14	co	co	NNS
cord-351222-9bfchw4u	159	15	-	-	NNS
cord-351222-9bfchw4u	159	16	authors	author	NNS
cord-351222-9bfchw4u	159	17	[	[	-LRB-
cord-351222-9bfchw4u	159	18	56	56	CD
cord-351222-9bfchw4u	159	19	,	,	,
cord-351222-9bfchw4u	159	20	57	57	CD
cord-351222-9bfchw4u	159	21	]	]	-RRB-
cord-351222-9bfchw4u	159	22	.	.	.
cord-351222-9bfchw4u	160	1	Furthermore	furthermore	RB
cord-351222-9bfchw4u	160	2	,	,	,
cord-351222-9bfchw4u	160	3	the	the	DT
cord-351222-9bfchw4u	160	4	authors	author	NNS
cord-351222-9bfchw4u	160	5	exemplified	exemplify	VBD
cord-351222-9bfchw4u	160	6	this	this	DT
cord-351222-9bfchw4u	160	7	strategy	strategy	NN
cord-351222-9bfchw4u	160	8	for	for	IN
cord-351222-9bfchw4u	160	9	the	the	DT
cord-351222-9bfchw4u	160	10	activity	activity	NN
cord-351222-9bfchw4u	160	11	profiling	profiling	NN
cord-351222-9bfchw4u	160	12	using	use	VBG
cord-351222-9bfchw4u	160	13	a	a	DT
cord-351222-9bfchw4u	160	14	set	set	NN
cord-351222-9bfchw4u	160	15	of	of	IN
cord-351222-9bfchw4u	160	16	HIV	HIV	NNP
cord-351222-9bfchw4u	160	17	protease	protease	NN
cord-351222-9bfchw4u	160	18	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	160	19	models	model	NNS
cord-351222-9bfchw4u	160	20	[	[	-LRB-
cord-351222-9bfchw4u	160	21	58	58	CD
cord-351222-9bfchw4u	160	22	]	]	-RRB-
cord-351222-9bfchw4u	160	23	.	.	.
cord-351222-9bfchw4u	161	1	This	this	DT
cord-351222-9bfchw4u	161	2	in	in	IN
cord-351222-9bfchw4u	161	3	silico	silico	NN
cord-351222-9bfchw4u	161	4	concept	concept	NN
cord-351222-9bfchw4u	161	5	is	be	VBZ
cord-351222-9bfchw4u	161	6	of	of	IN
cord-351222-9bfchw4u	161	7	particular	particular	JJ
cord-351222-9bfchw4u	161	8	interest	interest	NN
cord-351222-9bfchw4u	161	9	to	to	TO
cord-351222-9bfchw4u	161	10	virtually	virtually	RB
cord-351222-9bfchw4u	161	11	scrutinize	scrutinize	VB
cord-351222-9bfchw4u	161	12	drug	drug	NN
cord-351222-9bfchw4u	161	13	candidates	candidate	NNS
cord-351222-9bfchw4u	161	14	for	for	IN
cord-351222-9bfchw4u	161	15	their	-PRON-	PRP$
cord-351222-9bfchw4u	161	16	preliminary	preliminary	JJ
cord-351222-9bfchw4u	161	17	activity	activity	NN
cord-351222-9bfchw4u	161	18	profiling	profiling	NN
cord-351222-9bfchw4u	161	19	relevant	relevant	JJ
cord-351222-9bfchw4u	161	20	to	to	IN
cord-351222-9bfchw4u	161	21	putative	putative	JJ
cord-351222-9bfchw4u	161	22	side	side	NN
cord-351222-9bfchw4u	161	23	effects	effect	NNS
cord-351222-9bfchw4u	161	24	and	and	CC
cord-351222-9bfchw4u	161	25	toxicity	toxicity	NN
cord-351222-9bfchw4u	161	26	[	[	-LRB-
cord-351222-9bfchw4u	161	27	40	40	CD
cord-351222-9bfchw4u	161	28	]	]	-RRB-
cord-351222-9bfchw4u	161	29	.	.	.
cord-351222-9bfchw4u	162	1	According	accord	VBG
cord-351222-9bfchw4u	162	2	to	to	IN
cord-351222-9bfchw4u	162	3	the	the	DT
cord-351222-9bfchw4u	162	4	obtained	obtain	VBN
cord-351222-9bfchw4u	162	5	interactions	interaction	NNS
cord-351222-9bfchw4u	162	6	to	to	IN
cord-351222-9bfchw4u	162	7	virtually	virtually	RB
cord-351222-9bfchw4u	162	8	screened	screen	VBN
cord-351222-9bfchw4u	162	9	antitargets	antitarget	NNS
cord-351222-9bfchw4u	162	10	(	(	-LRB-
cord-351222-9bfchw4u	162	11	e.g.	e.g.	RB
cord-351222-9bfchw4u	162	12	,	,	,
cord-351222-9bfchw4u	162	13	hERG	herg	NN
cord-351222-9bfchw4u	162	14	,	,	,
cord-351222-9bfchw4u	162	15	sigma-1	sigma-1	NNP
cord-351222-9bfchw4u	162	16	,	,	,
cord-351222-9bfchw4u	162	17	sigma-2	sigma-2	NNP
cord-351222-9bfchw4u	162	18	,	,	,
cord-351222-9bfchw4u	162	19	alpha-1A	alpha-1A	NNP
cord-351222-9bfchw4u	162	20	,	,	,
cord-351222-9bfchw4u	162	21	alpha-1B	alpha-1b	NN
cord-351222-9bfchw4u	162	22	,	,	,
cord-351222-9bfchw4u	162	23	alpha-1D	alpha-1d	RB
cord-351222-9bfchw4u	162	24	,	,	,
cord-351222-9bfchw4u	162	25	alpha-2A	alpha-2a	RB
cord-351222-9bfchw4u	162	26	,	,	,
cord-351222-9bfchw4u	162	27	alpha-2B	alpha-2b	NN
cord-351222-9bfchw4u	162	28	,	,	,
cord-351222-9bfchw4u	162	29	alpha-2C	alpha-2C	NNP
cord-351222-9bfchw4u	162	30	,	,	,
cord-351222-9bfchw4u	162	31	D2L	d2l	NN
cord-351222-9bfchw4u	162	32	,	,	,
cord-351222-9bfchw4u	162	33	D3	D3	NNP
cord-351222-9bfchw4u	162	34	,	,	,
cord-351222-9bfchw4u	162	35	D4.2	D4.2	NNP
cord-351222-9bfchw4u	162	36	,	,	,
cord-351222-9bfchw4u	162	37	5-HT	5-ht	CD
cord-351222-9bfchw4u	162	38	1A	1a	NN
cord-351222-9bfchw4u	162	39	,	,	,
cord-351222-9bfchw4u	162	40	5-HT	5-ht	CD
cord-351222-9bfchw4u	162	41	2A	2a	CD
cord-351222-9bfchw4u	162	42	,	,	,
cord-351222-9bfchw4u	162	43	5-HT	5-ht	CD
cord-351222-9bfchw4u	162	44	7	7	CD
cord-351222-9bfchw4u	162	45	,	,	,
cord-351222-9bfchw4u	162	46	H1	H1	NNP
cord-351222-9bfchw4u	162	47	,	,	,
cord-351222-9bfchw4u	162	48	I2	I2	NNP
cord-351222-9bfchw4u	162	49	,	,	,
cord-351222-9bfchw4u	162	50	A2A	a2a	NN
cord-351222-9bfchw4u	162	51	,	,	,
cord-351222-9bfchw4u	162	52	A2B	A2B	NNP
cord-351222-9bfchw4u	162	53	,	,	,
cord-351222-9bfchw4u	162	54	cytochrome	cytochrome	NN
cord-351222-9bfchw4u	162	55	P	p	NN
cord-351222-9bfchw4u	162	56	450	450	CD
cord-351222-9bfchw4u	162	57	)	)	-RRB-
cord-351222-9bfchw4u	162	58	a	a	DT
cord-351222-9bfchw4u	162	59	first	first	JJ
cord-351222-9bfchw4u	162	60	insight	insight	NN
cord-351222-9bfchw4u	162	61	to	to	IN
cord-351222-9bfchw4u	162	62	potentially	potentially	RB
cord-351222-9bfchw4u	162	63	risky	risky	JJ
cord-351222-9bfchw4u	162	64	affinities	affinity	NNS
cord-351222-9bfchw4u	162	65	is	be	VBZ
cord-351222-9bfchw4u	162	66	provided	provide	VBN
cord-351222-9bfchw4u	162	67	before	before	IN
cord-351222-9bfchw4u	162	68	time	time	NN
cord-351222-9bfchw4u	162	69	and	and	CC
cord-351222-9bfchw4u	162	70	cost	cost	VB
cord-351222-9bfchw4u	162	71	intensive	intensive	JJ
cord-351222-9bfchw4u	162	72	toxicological	toxicological	JJ
cord-351222-9bfchw4u	162	73	studies	study	NNS
cord-351222-9bfchw4u	162	74	are	be	VBP
cord-351222-9bfchw4u	162	75	performed	perform	VBN
cord-351222-9bfchw4u	162	76	.	.	.
cord-351222-9bfchw4u	163	1	The	the	DT
cord-351222-9bfchw4u	163	2	virtual	virtual	JJ
cord-351222-9bfchw4u	163	3	screening	screening	NN
cord-351222-9bfchw4u	163	4	approach	approach	NN
cord-351222-9bfchw4u	163	5	using	use	VBG
cord-351222-9bfchw4u	163	6	a	a	DT
cord-351222-9bfchw4u	163	7	structure	structure	NN
cord-351222-9bfchw4u	163	8	-	-	HYPH
cord-351222-9bfchw4u	163	9	based	base	VBN
cord-351222-9bfchw4u	163	10	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	163	11	model	model	NN
cord-351222-9bfchw4u	163	12	has	have	VBZ
cord-351222-9bfchw4u	163	13	revealed	reveal	VBN
cord-351222-9bfchw4u	163	14	some	some	DT
cord-351222-9bfchw4u	163	15	first	first	JJ
cord-351222-9bfchw4u	163	16	application	application	NN
cord-351222-9bfchw4u	163	17	examples	example	NNS
cord-351222-9bfchw4u	163	18	in	in	IN
cord-351222-9bfchw4u	163	19	NP	NP	NNP
cord-351222-9bfchw4u	163	20	research	research	NN
cord-351222-9bfchw4u	163	21	:	:	:
cord-351222-9bfchw4u	163	22	Niko	Niko	NNP
cord-351222-9bfchw4u	163	23	-	-	HYPH
cord-351222-9bfchw4u	163	24	lovska	lovska	NNP
cord-351222-9bfchw4u	163	25	-	-	HYPH
cord-351222-9bfchw4u	163	26	Coleska	Coleska	NNP
cord-351222-9bfchw4u	163	27	and	and	CC
cord-351222-9bfchw4u	163	28	co	co	NNS
cord-351222-9bfchw4u	163	29	-	-	NNS
cord-351222-9bfchw4u	163	30	authors	author	NNS
cord-351222-9bfchw4u	163	31	successfully	successfully	RB
cord-351222-9bfchw4u	163	32	pursued	pursue	VBD
cord-351222-9bfchw4u	163	33	this	this	DT
cord-351222-9bfchw4u	163	34	in	in	IN
cord-351222-9bfchw4u	163	35	silico	silico	NN
cord-351222-9bfchw4u	163	36	strategy	strategy	NN
cord-351222-9bfchw4u	163	37	in	in	IN
cord-351222-9bfchw4u	163	38	the	the	DT
cord-351222-9bfchw4u	163	39	area	area	NN
cord-351222-9bfchw4u	163	40	of	of	IN
cord-351222-9bfchw4u	163	41	X	x	NN
cord-351222-9bfchw4u	163	42	-	-	HYPH
cord-351222-9bfchw4u	163	43	linked	link	VBN
cord-351222-9bfchw4u	163	44	inhibitors	inhibitor	NNS
cord-351222-9bfchw4u	163	45	of	of	IN
cord-351222-9bfchw4u	163	46	apoptosis	apoptosis	NN
cord-351222-9bfchw4u	163	47	(	(	-LRB-
cord-351222-9bfchw4u	163	48	XIAP	XIAP	NNP
cord-351222-9bfchw4u	163	49	)	)	-RRB-
cord-351222-9bfchw4u	163	50	[	[	-LRB-
cord-351222-9bfchw4u	163	51	59	59	CD
cord-351222-9bfchw4u	163	52	]	]	-RRB-
cord-351222-9bfchw4u	163	53	.	.	.
cord-351222-9bfchw4u	164	1	A	a	DT
cord-351222-9bfchw4u	164	2	high	high	JJ
cord-351222-9bfchw4u	164	3	resolution	resolution	NN
cord-351222-9bfchw4u	164	4	3D	3d	JJ
cord-351222-9bfchw4u	164	5	structure	structure	NN
cord-351222-9bfchw4u	164	6	of	of	IN
cord-351222-9bfchw4u	164	7	the	the	DT
cord-351222-9bfchw4u	164	8	XIAP	XIAP	NNP
cord-351222-9bfchw4u	164	9	BIR3	BIR3	NNP
cord-351222-9bfchw4u	164	10	domain	domain	NN
cord-351222-9bfchw4u	164	11	complexed	complexe	VBN
cord-351222-9bfchw4u	164	12	with	with	IN
cord-351222-9bfchw4u	164	13	the	the	DT
cord-351222-9bfchw4u	164	14	N	n	CD
cord-351222-9bfchw4u	164	15	-	-	HYPH
cord-351222-9bfchw4u	164	16	terminal	terminal	JJ
cord-351222-9bfchw4u	164	17	end	end	NN
cord-351222-9bfchw4u	164	18	of	of	IN
cord-351222-9bfchw4u	164	19	the	the	DT
cord-351222-9bfchw4u	164	20	Smac	Smac	NNP
cord-351222-9bfchw4u	164	21	/	/	SYM
cord-351222-9bfchw4u	164	22	Diablo	Diablo	NNP
cord-351222-9bfchw4u	164	23	protein	protein	NN
cord-351222-9bfchw4u	164	24	[	[	-LRB-
cord-351222-9bfchw4u	164	25	60	60	CD
cord-351222-9bfchw4u	164	26	]	]	-RRB-
cord-351222-9bfchw4u	164	27	,	,	,
cord-351222-9bfchw4u	164	28	which	which	WDT
cord-351222-9bfchw4u	164	29	is	be	VBZ
cord-351222-9bfchw4u	164	30	an	an	DT
cord-351222-9bfchw4u	164	31	endogenous	endogenous	JJ
cord-351222-9bfchw4u	164	32	ligand	ligand	NN
cord-351222-9bfchw4u	164	33	of	of	IN
cord-351222-9bfchw4u	164	34	the	the	DT
cord-351222-9bfchw4u	164	35	respective	respective	JJ
cord-351222-9bfchw4u	164	36	XIAP	xiap	NN
cord-351222-9bfchw4u	164	37	binding	binding	NN
cord-351222-9bfchw4u	164	38	pocket	pocket	NN
cord-351222-9bfchw4u	164	39	,	,	,
cord-351222-9bfchw4u	164	40	was	be	VBD
cord-351222-9bfchw4u	164	41	used	use	VBN
cord-351222-9bfchw4u	164	42	as	as	IN
cord-351222-9bfchw4u	164	43	the	the	DT
cord-351222-9bfchw4u	164	44	starting	starting	NN
cord-351222-9bfchw4u	164	45	point	point	NN
cord-351222-9bfchw4u	164	46	to	to	IN
cord-351222-9bfchw4u	164	47	virtually	virtually	RB
cord-351222-9bfchw4u	164	48	screen	screen	VB
cord-351222-9bfchw4u	164	49	an	an	DT
cord-351222-9bfchw4u	164	50	in	in	IN
cord-351222-9bfchw4u	164	51	-	-	HYPH
cord-351222-9bfchw4u	164	52	house	house	NN
cord-351222-9bfchw4u	164	53	3D	3D	NNP
cord-351222-9bfchw4u	164	54	-	-	HYPH
cord-351222-9bfchw4u	164	55	NP	NP	NNP
cord-351222-9bfchw4u	164	56	database	database	NN
cord-351222-9bfchw4u	164	57	.	.	.
cord-351222-9bfchw4u	165	1	Embelin	Embelin	NNP
cord-351222-9bfchw4u	165	2	(	(	-LRB-
cord-351222-9bfchw4u	165	3	6	6	CD
cord-351222-9bfchw4u	165	4	)	)	-RRB-
cord-351222-9bfchw4u	165	5	from	from	IN
cord-351222-9bfchw4u	165	6	the	the	DT
cord-351222-9bfchw4u	165	7	Japanese	japanese	JJ
cord-351222-9bfchw4u	165	8	Ardisia	Ardisia	NNP
cord-351222-9bfchw4u	165	9	herb	herb	NN
cord-351222-9bfchw4u	165	10	emerged	emerge	VBD
cord-351222-9bfchw4u	165	11	as	as	IN
cord-351222-9bfchw4u	165	12	virtual	virtual	JJ
cord-351222-9bfchw4u	165	13	small	small	JJ
cord-351222-9bfchw4u	165	14	molecule	molecule	NN
cord-351222-9bfchw4u	165	15	weight	weight	NN
cord-351222-9bfchw4u	165	16	hit	hit	NN
cord-351222-9bfchw4u	165	17	,	,	,
cord-351222-9bfchw4u	165	18	which	which	WDT
cord-351222-9bfchw4u	165	19	was	be	VBD
cord-351222-9bfchw4u	165	20	found	find	VBN
cord-351222-9bfchw4u	165	21	to	to	TO
cord-351222-9bfchw4u	165	22	be	be	VB
cord-351222-9bfchw4u	165	23	a	a	DT
cord-351222-9bfchw4u	165	24	fairly	fairly	RB
cord-351222-9bfchw4u	165	25	potent	potent	JJ
cord-351222-9bfchw4u	165	26	inhibitor	inhibitor	NN
cord-351222-9bfchw4u	165	27	of	of	IN
cord-351222-9bfchw4u	165	28	XIAP	XIAP	NNP
cord-351222-9bfchw4u	165	29	using	use	VBG
cord-351222-9bfchw4u	165	30	a	a	DT
cord-351222-9bfchw4u	165	31	fluorescence	fluorescence	NN
cord-351222-9bfchw4u	165	32	polarization	polarization	NN
cord-351222-9bfchw4u	165	33	binding	bind	VBG
cord-351222-9bfchw4u	165	34	assay	assay	NN
cord-351222-9bfchw4u	165	35	.	.	.
cord-351222-9bfchw4u	166	1	In	in	IN
cord-351222-9bfchw4u	166	2	our	-PRON-	PRP$
cord-351222-9bfchw4u	166	3	group	group	NN
cord-351222-9bfchw4u	166	4	,	,	,
cord-351222-9bfchw4u	166	5	we	-PRON-	PRP
cord-351222-9bfchw4u	166	6	previously	previously	RB
cord-351222-9bfchw4u	166	7	focused	focus	VBD
cord-351222-9bfchw4u	166	8	on	on	IN
cord-351222-9bfchw4u	166	9	acetylcholinesterase	acetylcholinesterase	NN
cord-351222-9bfchw4u	166	10	(	(	-LRB-
cord-351222-9bfchw4u	166	11	AChE	ache	NN
cord-351222-9bfchw4u	166	12	)	)	-RRB-
cord-351222-9bfchw4u	166	13	[	[	-LRB-
cord-351222-9bfchw4u	166	14	61	61	CD
cord-351222-9bfchw4u	166	15	]	]	-RRB-
cord-351222-9bfchw4u	166	16	;	;	:
cord-351222-9bfchw4u	166	17	according	accord	VBG
cord-351222-9bfchw4u	166	18	to	to	IN
cord-351222-9bfchw4u	166	19	the	the	DT
cord-351222-9bfchw4u	166	20	cholinergic	cholinergic	JJ
cord-351222-9bfchw4u	166	21	hypothesis	hypothesis	NN
cord-351222-9bfchw4u	166	22	of	of	IN
cord-351222-9bfchw4u	166	23	the	the	DT
cord-351222-9bfchw4u	166	24	pathogenesis	pathogenesis	NN
cord-351222-9bfchw4u	166	25	of	of	IN
cord-351222-9bfchw4u	166	26	Alzheimer	Alzheimer	NNP
cord-351222-9bfchw4u	166	27	's	's	POS
cord-351222-9bfchw4u	166	28	disease	disease	NN
cord-351222-9bfchw4u	166	29	,	,	,
cord-351222-9bfchw4u	166	30	inhibitors	inhibitor	NNS
cord-351222-9bfchw4u	166	31	of	of	IN
cord-351222-9bfchw4u	166	32	the	the	DT
cord-351222-9bfchw4u	166	33	AChE	ache	NN
cord-351222-9bfchw4u	166	34	are	be	VBP
cord-351222-9bfchw4u	166	35	successfully	successfully	RB
cord-351222-9bfchw4u	166	36	used	use	VBN
cord-351222-9bfchw4u	166	37	as	as	IN
cord-351222-9bfchw4u	166	38	therapeutic	therapeutic	JJ
cord-351222-9bfchw4u	166	39	strategy	strategy	NN
cord-351222-9bfchw4u	166	40	.	.	.
cord-351222-9bfchw4u	167	1	Based	base	VBN
cord-351222-9bfchw4u	167	2	on	on	IN
cord-351222-9bfchw4u	167	3	the	the	DT
cord-351222-9bfchw4u	167	4	co	co	JJ
cord-351222-9bfchw4u	167	5	-	-	JJ
cord-351222-9bfchw4u	167	6	crystal	crystal	JJ
cord-351222-9bfchw4u	167	7	structure	structure	NN
cord-351222-9bfchw4u	167	8	of	of	IN
cord-351222-9bfchw4u	167	9	AChE	ache	NN
cord-351222-9bfchw4u	167	10	with	with	IN
cord-351222-9bfchw4u	167	11	its	-PRON-	PRP$
cord-351222-9bfchw4u	167	12	ligand	ligand	NN
cord-351222-9bfchw4u	167	13	galanthamine	galanthamine	NN
cord-351222-9bfchw4u	167	14	,	,	,
cord-351222-9bfchw4u	167	15	a	a	DT
cord-351222-9bfchw4u	167	16	structure	structure	NN
cord-351222-9bfchw4u	167	17	-	-	HYPH
cord-351222-9bfchw4u	167	18	based	base	VBN
cord-351222-9bfchw4u	167	19	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	167	20	model	model	NN
cord-351222-9bfchw4u	167	21	was	be	VBD
cord-351222-9bfchw4u	167	22	generated	generate	VBN
cord-351222-9bfchw4u	167	23	and	and	CC
cord-351222-9bfchw4u	167	24	used	use	VBN
cord-351222-9bfchw4u	167	25	for	for	IN
cord-351222-9bfchw4u	167	26	an	an	DT
cord-351222-9bfchw4u	167	27	in	in	IN
cord-351222-9bfchw4u	167	28	silico	silico	NN
cord-351222-9bfchw4u	167	29	screening	screening	NN
cord-351222-9bfchw4u	167	30	of	of	IN
cord-351222-9bfchw4u	167	31	a	a	DT
cord-351222-9bfchw4u	167	32	multi	multi	JJ
cord-351222-9bfchw4u	167	33	-	-	JJ
cord-351222-9bfchw4u	167	34	conformational	conformational	JJ
cord-351222-9bfchw4u	167	35	database	database	NN
cord-351222-9bfchw4u	167	36	consisting	consist	VBG
cord-351222-9bfchw4u	167	37	of	of	IN
cord-351222-9bfchw4u	167	38	more	more	JJR
cord-351222-9bfchw4u	167	39	than	than	IN
cord-351222-9bfchw4u	167	40	110,000	110,000	CD
cord-351222-9bfchw4u	167	41	NPs	np	NNS
cord-351222-9bfchw4u	167	42	.	.	.
cord-351222-9bfchw4u	168	1	From	from	IN
cord-351222-9bfchw4u	168	2	the	the	DT
cord-351222-9bfchw4u	168	3	obtained	obtain	VBN
cord-351222-9bfchw4u	168	4	hit	hit	NN
cord-351222-9bfchw4u	168	5	list	list	NN
cord-351222-9bfchw4u	168	6	,	,	,
cord-351222-9bfchw4u	168	7	promising	promising	JJ
cord-351222-9bfchw4u	168	8	,	,	,
cord-351222-9bfchw4u	168	9	virtually	virtually	RB
cord-351222-9bfchw4u	168	10	active	active	JJ
cord-351222-9bfchw4u	168	11	candidates	candidate	NNS
cord-351222-9bfchw4u	168	12	were	be	VBD
cord-351222-9bfchw4u	168	13	selected	select	VBN
cord-351222-9bfchw4u	168	14	,	,	,
cord-351222-9bfchw4u	168	15	namely	namely	RB
cord-351222-9bfchw4u	168	16	scopoletin	scopoletin	NNP
cord-351222-9bfchw4u	168	17	(	(	-LRB-
cord-351222-9bfchw4u	168	18	7	7	CD
cord-351222-9bfchw4u	168	19	)	)	-RRB-
cord-351222-9bfchw4u	168	20	and	and	CC
cord-351222-9bfchw4u	168	21	its	-PRON-	PRP$
cord-351222-9bfchw4u	168	22	glucoside	glucoside	NN
cord-351222-9bfchw4u	168	23	scopolin	scopolin	NNP
cord-351222-9bfchw4u	168	24	(	(	-LRB-
cord-351222-9bfchw4u	168	25	8)	8)	NNP
cord-351222-9bfchw4u	168	26	.	.	.
cord-351222-9bfchw4u	169	1	Their	-PRON-	PRP$
cord-351222-9bfchw4u	169	2	AChE	ache	NN
cord-351222-9bfchw4u	169	3	inhibitory	inhibitory	JJ
cord-351222-9bfchw4u	169	4	effect	effect	NN
cord-351222-9bfchw4u	169	5	was	be	VBD
cord-351222-9bfchw4u	169	6	first	first	RB
cord-351222-9bfchw4u	169	7	verified	verify	VBN
cord-351222-9bfchw4u	169	8	from	from	IN
cord-351222-9bfchw4u	169	9	the	the	DT
cord-351222-9bfchw4u	169	10	crude	crude	JJ
cord-351222-9bfchw4u	169	11	extract	extract	NN
cord-351222-9bfchw4u	169	12	of	of	IN
cord-351222-9bfchw4u	169	13	Scopolia	Scopolia	NNP
cord-351222-9bfchw4u	169	14	carniolica	carniolica	NNP
cord-351222-9bfchw4u	169	15	roots	root	NNS
cord-351222-9bfchw4u	169	16	using	use	VBG
cord-351222-9bfchw4u	169	17	a	a	DT
cord-351222-9bfchw4u	169	18	bioautographic	bioautographic	JJ
cord-351222-9bfchw4u	169	19	TLC	TLC	NNP
cord-351222-9bfchw4u	169	20	assay	assay	NN
cord-351222-9bfchw4u	169	21	.	.	.
cord-351222-9bfchw4u	170	1	The	the	DT
cord-351222-9bfchw4u	170	2	isolated	isolated	JJ
cord-351222-9bfchw4u	170	3	coumarins	coumarin	NNS
cord-351222-9bfchw4u	170	4	showed	show	VBD
cord-351222-9bfchw4u	170	5	a	a	DT
cord-351222-9bfchw4u	170	6	significant	significant	JJ
cord-351222-9bfchw4u	170	7	and	and	CC
cord-351222-9bfchw4u	170	8	dose	dose	NN
cord-351222-9bfchw4u	170	9	-	-	HYPH
cord-351222-9bfchw4u	170	10	dependent	dependent	JJ
cord-351222-9bfchw4u	170	11	inhibition	inhibition	NN
cord-351222-9bfchw4u	170	12	of	of	IN
cord-351222-9bfchw4u	170	13	the	the	DT
cord-351222-9bfchw4u	170	14	AChE	ache	NN
cord-351222-9bfchw4u	170	15	in	in	IN
cord-351222-9bfchw4u	170	16	the	the	DT
cord-351222-9bfchw4u	170	17	microplate	microplate	NN
cord-351222-9bfchw4u	170	18	enzyme	enzyme	NN
cord-351222-9bfchw4u	170	19	assay	assay	NN
cord-351222-9bfchw4u	170	20	as	as	RB
cord-351222-9bfchw4u	170	21	well	well	RB
cord-351222-9bfchw4u	170	22	as	as	IN
cord-351222-9bfchw4u	170	23	in	in	IN
cord-351222-9bfchw4u	170	24	the	the	DT
cord-351222-9bfchw4u	170	25	in	in	IN
cord-351222-9bfchw4u	170	26	vivo	vivo	NN
cord-351222-9bfchw4u	170	27	test	test	NN
cord-351222-9bfchw4u	170	28	.	.	.
cord-351222-9bfchw4u	171	1	The	the	DT
cord-351222-9bfchw4u	171	2	i.c.v	i.c.v	NNP
cord-351222-9bfchw4u	171	3	.	.	.
cord-351222-9bfchw4u	171	4	application	application	NN
cord-351222-9bfchw4u	171	5	of	of	IN
cord-351222-9bfchw4u	171	6	both	both	DT
cord-351222-9bfchw4u	171	7	coumarins	coumarin	NNS
cord-351222-9bfchw4u	171	8	on	on	IN
cord-351222-9bfchw4u	171	9	rats	rat	NNS
cord-351222-9bfchw4u	171	10	resulted	result	VBD
cord-351222-9bfchw4u	171	11	in	in	IN
cord-351222-9bfchw4u	171	12	a	a	DT
cord-351222-9bfchw4u	171	13	long	long	RB
cord-351222-9bfchw4u	171	14	-	-	HYPH
cord-351222-9bfchw4u	171	15	lasting	last	VBG
cord-351222-9bfchw4u	171	16	,	,	,
cord-351222-9bfchw4u	171	17	pronounced	pronounced	JJ
cord-351222-9bfchw4u	171	18	and	and	CC
cord-351222-9bfchw4u	171	19	-in	-in	IN
cord-351222-9bfchw4u	171	20	case	case	NN
cord-351222-9bfchw4u	171	21	of	of	IN
cord-351222-9bfchw4u	171	22	the	the	DT
cord-351222-9bfchw4u	171	23	glucoside	glucoside	NN
cord-351222-9bfchw4u	171	24	-even	-even	VBN
cord-351222-9bfchw4u	172	1	in	in	IN
cord-351222-9bfchw4u	172	2	a	a	DT
cord-351222-9bfchw4u	172	3	two	two	CD
cord-351222-9bfchw4u	172	4	-	-	:
cord-351222-9bfchw4u	172	5	fold	fold	VB
cord-351222-9bfchw4u	172	6	higher	high	JJR
cord-351222-9bfchw4u	172	7	increase	increase	NN
cord-351222-9bfchw4u	172	8	of	of	IN
cord-351222-9bfchw4u	172	9	the	the	DT
cord-351222-9bfchw4u	172	10	neurotransmitter	neurotransmitter	NN
cord-351222-9bfchw4u	172	11	's	's	POS
cord-351222-9bfchw4u	172	12	concentration	concentration	NN
cord-351222-9bfchw4u	172	13	than	than	IN
cord-351222-9bfchw4u	172	14	the	the	DT
cord-351222-9bfchw4u	172	15	one	one	CD
cord-351222-9bfchw4u	172	16	caused	cause	VBN
cord-351222-9bfchw4u	172	17	by	by	IN
cord-351222-9bfchw4u	172	18	the	the	DT
cord-351222-9bfchw4u	172	19	positive	positive	JJ
cord-351222-9bfchw4u	172	20	control	control	NN
cord-351222-9bfchw4u	172	21	galanthamine	galanthamine	NN
cord-351222-9bfchw4u	172	22	.	.	.
cord-351222-9bfchw4u	173	1	7	7	CD
cord-351222-9bfchw4u	173	2	Ligand	ligand	NN
cord-351222-9bfchw4u	173	3	-	-	HYPH
cord-351222-9bfchw4u	173	4	based	base	VBN
cord-351222-9bfchw4u	173	5	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	173	6	model	model	NN
cord-351222-9bfchw4u	173	7	Very	very	RB
cord-351222-9bfchw4u	173	8	often	often	RB
cord-351222-9bfchw4u	173	9	,	,	,
cord-351222-9bfchw4u	173	10	however	however	RB
cord-351222-9bfchw4u	173	11	,	,	,
cord-351222-9bfchw4u	173	12	lead	lead	VBP
cord-351222-9bfchw4u	173	13	discovery	discovery	NN
cord-351222-9bfchw4u	173	14	projects	project	NNS
cord-351222-9bfchw4u	173	15	have	have	VBP
cord-351222-9bfchw4u	173	16	reached	reach	VBN
cord-351222-9bfchw4u	173	17	a	a	DT
cord-351222-9bfchw4u	173	18	well	well	RB
cord-351222-9bfchw4u	173	19	-	-	HYPH
cord-351222-9bfchw4u	173	20	advanced	advanced	JJ
cord-351222-9bfchw4u	173	21	stage	stage	NN
cord-351222-9bfchw4u	173	22	before	before	IN
cord-351222-9bfchw4u	173	23	detailed	detailed	JJ
cord-351222-9bfchw4u	173	24	structural	structural	JJ
cord-351222-9bfchw4u	173	25	data	datum	NNS
cord-351222-9bfchw4u	173	26	on	on	IN
cord-351222-9bfchw4u	173	27	the	the	DT
cord-351222-9bfchw4u	173	28	protein	protein	NN
cord-351222-9bfchw4u	173	29	target	target	NN
cord-351222-9bfchw4u	173	30	has	have	VBZ
cord-351222-9bfchw4u	173	31	become	become	VBN
cord-351222-9bfchw4u	173	32	available	available	JJ
cord-351222-9bfchw4u	173	33	,	,	,
cord-351222-9bfchw4u	173	34	even	even	RB
cord-351222-9bfchw4u	173	35	though	though	IN
cord-351222-9bfchw4u	173	36	it	-PRON-	PRP
cord-351222-9bfchw4u	173	37	is	be	VBZ
cord-351222-9bfchw4u	173	38	well	well	RB
cord-351222-9bfchw4u	173	39	recognized	recognize	VBN
cord-351222-9bfchw4u	173	40	that	that	IN
cord-351222-9bfchw4u	173	41	modern	modern	JJ
cord-351222-9bfchw4u	173	42	methods	method	NNS
cord-351222-9bfchw4u	173	43	of	of	IN
cord-351222-9bfchw4u	173	44	molecular	molecular	JJ
cord-351222-9bfchw4u	173	45	biology	biology	NN
cord-351222-9bfchw4u	173	46	together	together	RB
cord-351222-9bfchw4u	173	47	with	with	IN
cord-351222-9bfchw4u	173	48	biophysics	biophysic	NNS
cord-351222-9bfchw4u	173	49	and	and	CC
cord-351222-9bfchw4u	173	50	computational	computational	JJ
cord-351222-9bfchw4u	173	51	approaches	approach	NNS
cord-351222-9bfchw4u	173	52	enhance	enhance	VBP
cord-351222-9bfchw4u	173	53	the	the	DT
cord-351222-9bfchw4u	173	54	likelihood	likelihood	NN
cord-351222-9bfchw4u	173	55	of	of	IN
cord-351222-9bfchw4u	173	56	successfully	successfully	RB
cord-351222-9bfchw4u	173	57	obtaining	obtain	VBG
cord-351222-9bfchw4u	173	58	detailed	detailed	JJ
cord-351222-9bfchw4u	173	59	atomic	atomic	JJ
cord-351222-9bfchw4u	173	60	structure	structure	NN
cord-351222-9bfchw4u	173	61	information	information	NN
cord-351222-9bfchw4u	173	62	.	.	.
cord-351222-9bfchw4u	174	1	A	a	DT
cord-351222-9bfchw4u	174	2	possible	possible	JJ
cord-351222-9bfchw4u	174	3	consequence	consequence	NN
cord-351222-9bfchw4u	174	4	is	be	VBZ
cord-351222-9bfchw4u	174	5	that	that	IN
cord-351222-9bfchw4u	174	6	often	often	RB
cord-351222-9bfchw4u	174	7	scientists	scientist	NNS
cord-351222-9bfchw4u	174	8	identify	identify	VBP
cord-351222-9bfchw4u	174	9	and	and	CC
cord-351222-9bfchw4u	174	10	develop	develop	VB
cord-351222-9bfchw4u	174	11	novel	novel	JJ
cord-351222-9bfchw4u	174	12	compounds	compound	NNS
cord-351222-9bfchw4u	174	13	for	for	IN
cord-351222-9bfchw4u	174	14	a	a	DT
cord-351222-9bfchw4u	174	15	target	target	NN
cord-351222-9bfchw4u	174	16	using	use	VBG
cord-351222-9bfchw4u	174	17	preliminary	preliminary	JJ
cord-351222-9bfchw4u	174	18	structure	structure	NN
cord-351222-9bfchw4u	174	19	-	-	HYPH
cord-351222-9bfchw4u	174	20	activity	activity	NN
cord-351222-9bfchw4u	174	21	information	information	NN
cord-351222-9bfchw4u	174	22	,	,	,
cord-351222-9bfchw4u	174	23	together	together	RB
cord-351222-9bfchw4u	174	24	with	with	IN
cord-351222-9bfchw4u	174	25	theoretical	theoretical	JJ
cord-351222-9bfchw4u	174	26	models	model	NNS
cord-351222-9bfchw4u	174	27	of	of	IN
cord-351222-9bfchw4u	174	28	interaction	interaction	NN
cord-351222-9bfchw4u	174	29	.	.	.
cord-351222-9bfchw4u	175	1	Only	only	RB
cord-351222-9bfchw4u	175	2	responses	response	NNS
cord-351222-9bfchw4u	175	3	that	that	WDT
cord-351222-9bfchw4u	175	4	are	be	VBP
cord-351222-9bfchw4u	175	5	consistent	consistent	JJ
cord-351222-9bfchw4u	175	6	with	with	IN
cord-351222-9bfchw4u	175	7	the	the	DT
cord-351222-9bfchw4u	175	8	working	work	VBG
cord-351222-9bfchw4u	175	9	hypotheses	hypothesis	NNS
cord-351222-9bfchw4u	175	10	contribute	contribute	VBP
cord-351222-9bfchw4u	175	11	to	to	IN
cord-351222-9bfchw4u	175	12	an	an	DT
cord-351222-9bfchw4u	175	13	evolution	evolution	NN
cord-351222-9bfchw4u	175	14	of	of	IN
cord-351222-9bfchw4u	175	15	the	the	DT
cord-351222-9bfchw4u	175	16	used	use	VBN
cord-351222-9bfchw4u	175	17	models	model	NNS
cord-351222-9bfchw4u	175	18	.	.	.
cord-351222-9bfchw4u	176	1	Within	within	IN
cord-351222-9bfchw4u	176	2	this	this	DT
cord-351222-9bfchw4u	176	3	framework	framework	NN
cord-351222-9bfchw4u	176	4	,	,	,
cord-351222-9bfchw4u	176	5	the	the	DT
cord-351222-9bfchw4u	176	6	chemical	chemical	NN
cord-351222-9bfchw4u	176	7	feature	feature	NN
cord-351222-9bfchw4u	176	8	-	-	HYPH
cord-351222-9bfchw4u	176	9	based	base	VBN
cord-351222-9bfchw4u	176	10	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	176	11	approach	approach	NN
cord-351222-9bfchw4u	176	12	has	have	VBZ
cord-351222-9bfchw4u	176	13	proven	prove	VBN
cord-351222-9bfchw4u	176	14	to	to	TO
cord-351222-9bfchw4u	176	15	be	be	VB
cord-351222-9bfchw4u	176	16	successful	successful	JJ
cord-351222-9bfchw4u	176	17	[	[	-LRB-
cord-351222-9bfchw4u	176	18	62	62	CD
cord-351222-9bfchw4u	176	19	]	]	-RRB-
cord-351222-9bfchw4u	176	20	allowing	allow	VBG
cord-351222-9bfchw4u	176	21	the	the	DT
cord-351222-9bfchw4u	176	22	perception	perception	NN
cord-351222-9bfchw4u	176	23	and	and	CC
cord-351222-9bfchw4u	176	24	understanding	understanding	NN
cord-351222-9bfchw4u	176	25	of	of	IN
cord-351222-9bfchw4u	176	26	key	key	JJ
cord-351222-9bfchw4u	176	27	interactions	interaction	NNS
cord-351222-9bfchw4u	176	28	between	between	IN
cord-351222-9bfchw4u	176	29	a	a	DT
cord-351222-9bfchw4u	176	30	receptor	receptor	NN
cord-351222-9bfchw4u	176	31	and	and	CC
cord-351222-9bfchw4u	176	32	a	a	DT
cord-351222-9bfchw4u	176	33	ligand	ligand	NN
cord-351222-9bfchw4u	176	34	on	on	IN
cord-351222-9bfchw4u	176	35	a	a	DT
cord-351222-9bfchw4u	176	36	generalized	generalized	JJ
cord-351222-9bfchw4u	176	37	level	level	NN
cord-351222-9bfchw4u	176	38	.	.	.
cord-351222-9bfchw4u	177	1	A	a	DT
cord-351222-9bfchw4u	177	2	function	function	NN
cord-351222-9bfchw4u	177	3	-	-	HYPH
cord-351222-9bfchw4u	177	4	based	base	VBN
cord-351222-9bfchw4u	177	5	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	177	6	represents	represent	VBZ
cord-351222-9bfchw4u	177	7	the	the	DT
cord-351222-9bfchw4u	177	8	common	common	JJ
cord-351222-9bfchw4u	177	9	ensemble	ensemble	NN
cord-351222-9bfchw4u	177	10	of	of	IN
cord-351222-9bfchw4u	177	11	steric	steric	JJ
cord-351222-9bfchw4u	177	12	and	and	CC
cord-351222-9bfchw4u	177	13	electrostatic	electrostatic	JJ
cord-351222-9bfchw4u	177	14	features	feature	NNS
cord-351222-9bfchw4u	177	15	of	of	IN
cord-351222-9bfchw4u	177	16	different	different	JJ
cord-351222-9bfchw4u	177	17	compounds	compound	NNS
cord-351222-9bfchw4u	177	18	which	which	WDT
cord-351222-9bfchw4u	177	19	are	be	VBP
cord-351222-9bfchw4u	177	20	necessary	necessary	JJ
cord-351222-9bfchw4u	177	21	for	for	IN
cord-351222-9bfchw4u	177	22	their	-PRON-	PRP$
cord-351222-9bfchw4u	177	23	interaction	interaction	NN
cord-351222-9bfchw4u	177	24	with	with	IN
cord-351222-9bfchw4u	177	25	a	a	DT
cord-351222-9bfchw4u	177	26	specific	specific	JJ
cord-351222-9bfchw4u	177	27	biological	biological	JJ
cord-351222-9bfchw4u	177	28	target	target	NN
cord-351222-9bfchw4u	177	29	structure	structure	NN
cord-351222-9bfchw4u	177	30	(	(	-LRB-
cord-351222-9bfchw4u	177	31	Fig	Fig	NNP
cord-351222-9bfchw4u	177	32	.	.	.
cord-351222-9bfchw4u	177	33	4	4	CD
cord-351222-9bfchw4u	177	34	)	)	-RRB-
cord-351222-9bfchw4u	177	35	.	.	.
cord-351222-9bfchw4u	178	1	Such	such	JJ
cord-351222-9bfchw4u	178	2	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	178	3	models	model	NNS
cord-351222-9bfchw4u	178	4	together	together	RB
cord-351222-9bfchw4u	178	5	with	with	IN
cord-351222-9bfchw4u	178	6	large	large	JJ
cord-351222-9bfchw4u	178	7	3D	3d	JJ
cord-351222-9bfchw4u	178	8	structure	structure	NN
cord-351222-9bfchw4u	178	9	databases	database	NNS
cord-351222-9bfchw4u	178	10	originating	originate	VBG
cord-351222-9bfchw4u	178	11	either	either	CC
cord-351222-9bfchw4u	178	12	from	from	IN
cord-351222-9bfchw4u	178	13	in	in	IN
cord-351222-9bfchw4u	178	14	-	-	HYPH
cord-351222-9bfchw4u	178	15	house	house	NN
cord-351222-9bfchw4u	178	16	compound	compound	NN
cord-351222-9bfchw4u	178	17	collections	collection	NNS
cord-351222-9bfchw4u	178	18	,	,	,
cord-351222-9bfchw4u	178	19	from	from	IN
cord-351222-9bfchw4u	178	20	commercial	commercial	JJ
cord-351222-9bfchw4u	178	21	vendors	vendor	NNS
cord-351222-9bfchw4u	178	22	,	,	,
cord-351222-9bfchw4u	178	23	or	or	CC
cord-351222-9bfchw4u	178	24	from	from	IN
cord-351222-9bfchw4u	178	25	natural	natural	JJ
cord-351222-9bfchw4u	178	26	products	product	NNS
cord-351222-9bfchw4u	178	27	databases	database	NNS
cord-351222-9bfchw4u	178	28	have	have	VBP
cord-351222-9bfchw4u	178	29	proven	prove	VBN
cord-351222-9bfchw4u	178	30	to	to	TO
cord-351222-9bfchw4u	178	31	be	be	VB
cord-351222-9bfchw4u	178	32	extremely	extremely	RB
cord-351222-9bfchw4u	178	33	useful	useful	JJ
cord-351222-9bfchw4u	178	34	in	in	IN
cord-351222-9bfchw4u	178	35	silico	silico	NN
cord-351222-9bfchw4u	178	36	screening	screening	NN
cord-351222-9bfchw4u	178	37	experiments	experiment	NNS
cord-351222-9bfchw4u	178	38	.	.	.
cord-351222-9bfchw4u	179	1	When	when	WRB
cord-351222-9bfchw4u	179	2	using	use	VBG
cord-351222-9bfchw4u	179	3	ligand	ligand	NN
cord-351222-9bfchw4u	179	4	-	-	HYPH
cord-351222-9bfchw4u	179	5	based	base	VBN
cord-351222-9bfchw4u	179	6	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	179	7	models	model	NNS
cord-351222-9bfchw4u	179	8	as	as	IN
cord-351222-9bfchw4u	179	9	screening	screen	VBG
cord-351222-9bfchw4u	179	10	filters	filter	NNS
cord-351222-9bfchw4u	179	11	instead	instead	RB
cord-351222-9bfchw4u	179	12	of	of	IN
cord-351222-9bfchw4u	179	13	protein	protein	NN
cord-351222-9bfchw4u	179	14	3D	3d	JJ
cord-351222-9bfchw4u	179	15	structures	structure	NNS
cord-351222-9bfchw4u	179	16	,	,	,
cord-351222-9bfchw4u	179	17	affinity	affinity	NN
cord-351222-9bfchw4u	179	18	estimation	estimation	NN
cord-351222-9bfchw4u	179	19	is	be	VBZ
cord-351222-9bfchw4u	179	20	only	only	RB
cord-351222-9bfchw4u	179	21	based	base	VBN
cord-351222-9bfchw4u	179	22	on	on	IN
cord-351222-9bfchw4u	179	23	geometric	geometric	JJ
cord-351222-9bfchw4u	179	24	fit	fit	NN
cord-351222-9bfchw4u	179	25	of	of	IN
cord-351222-9bfchw4u	179	26	compound	compound	NN
cord-351222-9bfchw4u	179	27	atoms	atom	NNS
cord-351222-9bfchw4u	179	28	or	or	CC
cord-351222-9bfchw4u	179	29	groups	group	NNS
cord-351222-9bfchw4u	179	30	to	to	IN
cord-351222-9bfchw4u	179	31	features	feature	NNS
cord-351222-9bfchw4u	179	32	of	of	IN
cord-351222-9bfchw4u	179	33	the	the	DT
cord-351222-9bfchw4u	179	34	model	model	NN
cord-351222-9bfchw4u	179	35	.	.	.
cord-351222-9bfchw4u	180	1	In	in	IN
cord-351222-9bfchw4u	180	2	these	these	DT
cord-351222-9bfchw4u	180	3	cases	case	NNS
cord-351222-9bfchw4u	180	4	,	,	,
cord-351222-9bfchw4u	180	5	the	the	DT
cord-351222-9bfchw4u	180	6	values	value	NNS
cord-351222-9bfchw4u	180	7	calculated	calculate	VBN
cord-351222-9bfchw4u	180	8	are	be	VBP
cord-351222-9bfchw4u	180	9	often	often	RB
cord-351222-9bfchw4u	180	10	far	far	RB
cord-351222-9bfchw4u	180	11	away	away	RB
cord-351222-9bfchw4u	180	12	from	from	IN
cord-351222-9bfchw4u	180	13	reality	reality	NN
cord-351222-9bfchw4u	180	14	,	,	,
cord-351222-9bfchw4u	180	15	however	however	RB
cord-351222-9bfchw4u	180	16	,	,	,
cord-351222-9bfchw4u	180	17	still	still	RB
cord-351222-9bfchw4u	180	18	are	be	VBP
cord-351222-9bfchw4u	180	19	useful	useful	JJ
cord-351222-9bfchw4u	180	20	for	for	IN
cord-351222-9bfchw4u	180	21	filtering	filter	VBG
cord-351222-9bfchw4u	180	22	possible	possible	JJ
cord-351222-9bfchw4u	180	23	hits	hit	NNS
cord-351222-9bfchw4u	180	24	from	from	IN
cord-351222-9bfchw4u	180	25	non	non	JJ
cord-351222-9bfchw4u	180	26	-	-	JJ
cord-351222-9bfchw4u	180	27	binding	binding	JJ
cord-351222-9bfchw4u	180	28	molecules	molecule	NNS
cord-351222-9bfchw4u	180	29	.	.	.
cord-351222-9bfchw4u	181	1	Additionally	additionally	RB
cord-351222-9bfchw4u	181	2	,	,	,
cord-351222-9bfchw4u	181	3	in	in	IN
cord-351222-9bfchw4u	181	4	pharmacophore	pharmacophore	JJ
cord-351222-9bfchw4u	181	5	fitting	fitting	JJ
cord-351222-9bfchw4u	181	6	procedures	procedure	NNS
cord-351222-9bfchw4u	181	7	,	,	,
cord-351222-9bfchw4u	181	8	calculation	calculation	NN
cord-351222-9bfchw4u	181	9	demands	demand	NNS
cord-351222-9bfchw4u	181	10	are	be	VBP
cord-351222-9bfchw4u	181	11	considerably	considerably	RB
cord-351222-9bfchw4u	181	12	lower	low	JJR
cord-351222-9bfchw4u	181	13	than	than	IN
cord-351222-9bfchw4u	181	14	in	in	IN
cord-351222-9bfchw4u	181	15	docking	docking	NN
cord-351222-9bfchw4u	181	16	algorithms	algorithm	NNS
cord-351222-9bfchw4u	181	17	allowing	allow	VBG
cord-351222-9bfchw4u	181	18	the	the	DT
cord-351222-9bfchw4u	181	19	number	number	NN
cord-351222-9bfchw4u	181	20	of	of	IN
cord-351222-9bfchw4u	181	21	compounds	compound	NNS
cord-351222-9bfchw4u	181	22	to	to	TO
cord-351222-9bfchw4u	181	23	be	be	VB
cord-351222-9bfchw4u	181	24	processed	process	VBN
cord-351222-9bfchw4u	181	25	in	in	IN
cord-351222-9bfchw4u	181	26	the	the	DT
cord-351222-9bfchw4u	181	27	same	same	JJ
cord-351222-9bfchw4u	181	28	time	time	NN
cord-351222-9bfchw4u	181	29	to	to	TO
cord-351222-9bfchw4u	181	30	be	be	VB
cord-351222-9bfchw4u	181	31	by	by	IN
cord-351222-9bfchw4u	181	32	far	far	RB
cord-351222-9bfchw4u	181	33	higher	high	JJR
cord-351222-9bfchw4u	181	34	than	than	IN
cord-351222-9bfchw4u	181	35	even	even	RB
cord-351222-9bfchw4u	181	36	in	in	IN
cord-351222-9bfchw4u	181	37	high	high	JJ
cord-351222-9bfchw4u	181	38	throughput	throughput	NN
cord-351222-9bfchw4u	181	39	docking	docking	NN
cord-351222-9bfchw4u	181	40	.	.	.
cord-351222-9bfchw4u	182	1	Since	since	IN
cord-351222-9bfchw4u	182	2	in	in	IN
cord-351222-9bfchw4u	182	3	most	most	JJS
cord-351222-9bfchw4u	182	4	of	of	IN
cord-351222-9bfchw4u	182	5	the	the	DT
cord-351222-9bfchw4u	182	6	studies	study	NNS
cord-351222-9bfchw4u	182	7	no	no	DT
cord-351222-9bfchw4u	182	8	experimental	experimental	JJ
cord-351222-9bfchw4u	182	9	information	information	NN
cord-351222-9bfchw4u	182	10	on	on	IN
cord-351222-9bfchw4u	182	11	either	either	CC
cord-351222-9bfchw4u	182	12	the	the	DT
cord-351222-9bfchw4u	182	13	biological	biological	JJ
cord-351222-9bfchw4u	182	14	conformation	conformation	NN
cord-351222-9bfchw4u	182	15	of	of	IN
cord-351222-9bfchw4u	182	16	the	the	DT
cord-351222-9bfchw4u	182	17	ligand	ligand	NN
cord-351222-9bfchw4u	182	18	or	or	CC
cord-351222-9bfchw4u	182	19	the	the	DT
cord-351222-9bfchw4u	182	20	target	target	NN
cord-351222-9bfchw4u	182	21	protein	protein	NN
cord-351222-9bfchw4u	182	22	are	be	VBP
cord-351222-9bfchw4u	182	23	currently	currently	RB
cord-351222-9bfchw4u	182	24	available	available	JJ
cord-351222-9bfchw4u	182	25	,	,	,
cord-351222-9bfchw4u	182	26	the	the	DT
cord-351222-9bfchw4u	182	27	ligand	ligand	NN
cord-351222-9bfchw4u	182	28	-	-	HYPH
cord-351222-9bfchw4u	182	29	based	base	VBN
cord-351222-9bfchw4u	182	30	chemical	chemical	NN
cord-351222-9bfchw4u	182	31	feature	feature	NN
cord-351222-9bfchw4u	182	32	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	182	33	approach	approach	NN
cord-351222-9bfchw4u	182	34	can	can	MD
cord-351222-9bfchw4u	182	35	provide	provide	VB
cord-351222-9bfchw4u	182	36	essential	essential	JJ
cord-351222-9bfchw4u	182	37	information	information	NN
cord-351222-9bfchw4u	182	38	for	for	IN
cord-351222-9bfchw4u	182	39	medicinal	medicinal	JJ
cord-351222-9bfchw4u	182	40	chemists	chemist	NNS
cord-351222-9bfchw4u	182	41	.	.	.
cord-351222-9bfchw4u	183	1	Several	several	JJ
cord-351222-9bfchw4u	183	2	successful	successful	JJ
cord-351222-9bfchw4u	183	3	applications	application	NNS
cord-351222-9bfchw4u	183	4	within	within	IN
cord-351222-9bfchw4u	183	5	this	this	DT
cord-351222-9bfchw4u	183	6	subject	subject	NN
cord-351222-9bfchw4u	183	7	have	have	VBP
cord-351222-9bfchw4u	183	8	been	be	VBN
cord-351222-9bfchw4u	183	9	performed	perform	VBN
cord-351222-9bfchw4u	183	10	using	use	VBG
cord-351222-9bfchw4u	183	11	the	the	DT
cord-351222-9bfchw4u	183	12	CATA	CATA	NNP
cord-351222-9bfchw4u	183	13	-	-	HYPH
cord-351222-9bfchw4u	183	14	LYST	LYST	NNP
cord-351222-9bfchw4u	183	15	program	program	NN
cord-351222-9bfchw4u	183	16	,	,	,
cord-351222-9bfchw4u	183	17	one	one	CD
cord-351222-9bfchw4u	183	18	of	of	IN
cord-351222-9bfchw4u	183	19	the	the	DT
cord-351222-9bfchw4u	183	20	leading	lead	VBG
cord-351222-9bfchw4u	183	21	software	software	NN
cord-351222-9bfchw4u	183	22	packages	package	NNS
cord-351222-9bfchw4u	183	23	in	in	IN
cord-351222-9bfchw4u	183	24	chemical	chemical	JJ
cord-351222-9bfchw4u	183	25	featurebased	featurebased	JJ
cord-351222-9bfchw4u	183	26	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	183	27	modeling	modeling	NN
cord-351222-9bfchw4u	183	28	.	.	.
cord-351222-9bfchw4u	184	1	Schuster	Schuster	NNP
cord-351222-9bfchw4u	184	2	and	and	CC
cord-351222-9bfchw4u	184	3	co	co	NNS
cord-351222-9bfchw4u	184	4	-	-	NNS
cord-351222-9bfchw4u	184	5	workers	worker	NNS
cord-351222-9bfchw4u	184	6	succeeded	succeed	VBN
cord-351222-9bfchw4u	184	7	in	in	IN
cord-351222-9bfchw4u	184	8	the	the	DT
cord-351222-9bfchw4u	184	9	identification	identification	NN
cord-351222-9bfchw4u	184	10	of	of	IN
cord-351222-9bfchw4u	184	11	11	11	CD
cord-351222-9bfchw4u	184	12	-hydroxysteroid	-hydroxysteroid	JJ
cord-351222-9bfchw4u	184	13	dehydrogenase	dehydrogenase	NN
cord-351222-9bfchw4u	184	14	type	type	NN
cord-351222-9bfchw4u	184	15	1	1	CD
cord-351222-9bfchw4u	184	16	inhibitors	inhibitor	NNS
cord-351222-9bfchw4u	184	17	applying	apply	VBG
cord-351222-9bfchw4u	184	18	a	a	DT
cord-351222-9bfchw4u	184	19	common	common	JJ
cord-351222-9bfchw4u	184	20	feature	feature	NN
cord-351222-9bfchw4u	184	21	-	-	HYPH
cord-351222-9bfchw4u	184	22	based	base	VBN
cord-351222-9bfchw4u	184	23	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	184	24	model	model	NN
cord-351222-9bfchw4u	184	25	for	for	IN
cord-351222-9bfchw4u	184	26	their	-PRON-	PRP$
cord-351222-9bfchw4u	184	27	virtual	virtual	JJ
cord-351222-9bfchw4u	184	28	screening	screening	NN
cord-351222-9bfchw4u	184	29	filtering	filter	VBG
cord-351222-9bfchw4u	184	30	experiments	experiment	NNS
cord-351222-9bfchw4u	184	31	[	[	-LRB-
cord-351222-9bfchw4u	184	32	63	63	CD
cord-351222-9bfchw4u	184	33	]	]	-RRB-
cord-351222-9bfchw4u	184	34	.	.	.
cord-351222-9bfchw4u	185	1	Similarly	similarly	RB
cord-351222-9bfchw4u	185	2	,	,	,
cord-351222-9bfchw4u	185	3	the	the	DT
cord-351222-9bfchw4u	185	4	authors	author	NNS
cord-351222-9bfchw4u	185	5	preceded	precede	VBN
cord-351222-9bfchw4u	185	6	by	by	IN
cord-351222-9bfchw4u	185	7	suggesting	suggest	VBG
cord-351222-9bfchw4u	185	8	compounds	compound	NNS
cord-351222-9bfchw4u	185	9	with	with	IN
cord-351222-9bfchw4u	185	10	a	a	DT
cord-351222-9bfchw4u	185	11	proposed	propose	VBN
cord-351222-9bfchw4u	185	12	inhibition	inhibition	NN
cord-351222-9bfchw4u	185	13	to	to	IN
cord-351222-9bfchw4u	185	14	the	the	DT
cord-351222-9bfchw4u	185	15	cytochrome	cytochrome	NN
cord-351222-9bfchw4u	185	16	P450	P450	NNP
cord-351222-9bfchw4u	185	17	19	19	CD
cord-351222-9bfchw4u	185	18	isoenzyme	isoenzyme	NNS
cord-351222-9bfchw4u	185	19	[	[	-LRB-
cord-351222-9bfchw4u	185	20	64	64	CD
cord-351222-9bfchw4u	185	21	]	]	-RRB-
cord-351222-9bfchw4u	185	22	.	.	.
cord-351222-9bfchw4u	186	1	Several	several	JJ
cord-351222-9bfchw4u	186	2	reviews	review	NNS
cord-351222-9bfchw4u	186	3	covering	cover	VBG
cord-351222-9bfchw4u	186	4	successful	successful	JJ
cord-351222-9bfchw4u	186	5	applications	application	NNS
cord-351222-9bfchw4u	186	6	of	of	IN
cord-351222-9bfchw4u	186	7	such	such	JJ
cord-351222-9bfchw4u	186	8	feature	feature	NN
cord-351222-9bfchw4u	186	9	-	-	HYPH
cord-351222-9bfchw4u	186	10	based	base	VBN
cord-351222-9bfchw4u	186	11	methods	method	NNS
cord-351222-9bfchw4u	186	12	have	have	VBP
cord-351222-9bfchw4u	186	13	been	be	VBN
cord-351222-9bfchw4u	186	14	published	publish	VBN
cord-351222-9bfchw4u	186	15	by	by	IN
cord-351222-9bfchw4u	186	16	Kurogi	Kurogi	NNP
cord-351222-9bfchw4u	186	17	et	et	FW
cord-351222-9bfchw4u	186	18	al	al	NNP
cord-351222-9bfchw4u	186	19	.	.	.
cord-351222-9bfchw4u	187	1	[	[	-LRB-
cord-351222-9bfchw4u	187	2	65	65	CD
cord-351222-9bfchw4u	187	3	]	]	-RRB-
cord-351222-9bfchw4u	187	4	,	,	,
cord-351222-9bfchw4u	187	5	by	by	IN
cord-351222-9bfchw4u	187	6	Krovat	Krovat	NNP
cord-351222-9bfchw4u	187	7	et	et	NNP
cord-351222-9bfchw4u	187	8	al	al	NNP
cord-351222-9bfchw4u	187	9	.	.	.
cord-351222-9bfchw4u	188	1	[	[	-LRB-
cord-351222-9bfchw4u	188	2	28	28	CD
cord-351222-9bfchw4u	188	3	]	]	-RRB-
cord-351222-9bfchw4u	189	1	and	and	CC
cord-351222-9bfchw4u	189	2	by	by	IN
cord-351222-9bfchw4u	189	3	Güner	Güner	NNP
cord-351222-9bfchw4u	189	4	et	et	NNP
cord-351222-9bfchw4u	189	5	al	al	NNP
cord-351222-9bfchw4u	189	6	.	.	.
cord-351222-9bfchw4u	190	1	[	[	-LRB-
cord-351222-9bfchw4u	190	2	66	66	CD
cord-351222-9bfchw4u	190	3	]	]	-RRB-
cord-351222-9bfchw4u	190	4	.	.	.
cord-351222-9bfchw4u	191	1	They	-PRON-	PRP
cord-351222-9bfchw4u	191	2	outline	outline	VBP
cord-351222-9bfchw4u	191	3	the	the	DT
cord-351222-9bfchw4u	191	4	theoretical	theoretical	JJ
cord-351222-9bfchw4u	191	5	background	background	NN
cord-351222-9bfchw4u	191	6	and	and	CC
cord-351222-9bfchw4u	191	7	describe	describe	VB
cord-351222-9bfchw4u	191	8	several	several	JJ
cord-351222-9bfchw4u	191	9	significant	significant	JJ
cord-351222-9bfchw4u	191	10	studies	study	NNS
cord-351222-9bfchw4u	191	11	including	include	VBG
cord-351222-9bfchw4u	191	12	3D	3d	JJ
cord-351222-9bfchw4u	191	13	database	database	NN
cord-351222-9bfchw4u	191	14	search	search	NN
cord-351222-9bfchw4u	191	15	strategies	strategy	NNS
cord-351222-9bfchw4u	191	16	.	.	.
cord-351222-9bfchw4u	192	1	In	in	IN
cord-351222-9bfchw4u	192	2	the	the	DT
cord-351222-9bfchw4u	192	3	field	field	NN
cord-351222-9bfchw4u	192	4	of	of	IN
cord-351222-9bfchw4u	192	5	NPs	NPs	NNPS
cord-351222-9bfchw4u	192	6	only	only	RB
cord-351222-9bfchw4u	192	7	a	a	DT
cord-351222-9bfchw4u	192	8	very	very	RB
cord-351222-9bfchw4u	192	9	limited	limited	JJ
cord-351222-9bfchw4u	192	10	number	number	NN
cord-351222-9bfchw4u	192	11	of	of	IN
cord-351222-9bfchw4u	192	12	studies	study	NNS
cord-351222-9bfchw4u	192	13	report	report	VBP
cord-351222-9bfchw4u	192	14	from	from	IN
cord-351222-9bfchw4u	192	15	the	the	DT
cord-351222-9bfchw4u	192	16	rationalized	rationalized	JJ
cord-351222-9bfchw4u	192	17	access	access	NN
cord-351222-9bfchw4u	192	18	to	to	IN
cord-351222-9bfchw4u	192	19	bioactive	bioactive	JJ
cord-351222-9bfchw4u	192	20	compounds	compound	NNS
cord-351222-9bfchw4u	192	21	via	via	IN
cord-351222-9bfchw4u	192	22	ligand	ligand	NN
cord-351222-9bfchw4u	192	23	-	-	HYPH
cord-351222-9bfchw4u	192	24	based	base	VBN
cord-351222-9bfchw4u	192	25	virtual	virtual	JJ
cord-351222-9bfchw4u	192	26	screening	screening	NN
cord-351222-9bfchw4u	192	27	.	.	.
cord-351222-9bfchw4u	193	1	For	for	IN
cord-351222-9bfchw4u	193	2	example	example	NN
cord-351222-9bfchw4u	193	3	,	,	,
cord-351222-9bfchw4u	193	4	this	this	DT
cord-351222-9bfchw4u	193	5	method	method	NN
cord-351222-9bfchw4u	193	6	was	be	VBD
cord-351222-9bfchw4u	193	7	pursued	pursue	VBN
cord-351222-9bfchw4u	193	8	for	for	IN
cord-351222-9bfchw4u	193	9	the	the	DT
cord-351222-9bfchw4u	193	10	discovery	discovery	NN
cord-351222-9bfchw4u	193	11	of	of	IN
cord-351222-9bfchw4u	193	12	inhibitors	inhibitor	NNS
cord-351222-9bfchw4u	193	13	of	of	IN
cord-351222-9bfchw4u	193	14	the	the	DT
cord-351222-9bfchw4u	193	15	COP9	COP9	NNP
cord-351222-9bfchw4u	193	16	signalosome	signalosome	NN
cord-351222-9bfchw4u	193	17	(	(	-LRB-
cord-351222-9bfchw4u	193	18	CNS	CNS	NNP
cord-351222-9bfchw4u	193	19	)	)	-RRB-
cord-351222-9bfchw4u	193	20	associated	associate	VBD
cord-351222-9bfchw4u	193	21	kinases	kinase	NNS
cord-351222-9bfchw4u	193	22	CK2	CK2	NNP
cord-351222-9bfchw4u	193	23	and	and	CC
cord-351222-9bfchw4u	193	24	PKD	PKD	NNP
cord-351222-9bfchw4u	193	25	[	[	-LRB-
cord-351222-9bfchw4u	193	26	67	67	CD
cord-351222-9bfchw4u	193	27	]	]	-RRB-
cord-351222-9bfchw4u	193	28	.	.	.
cord-351222-9bfchw4u	194	1	Using	use	VBG
cord-351222-9bfchw4u	194	2	NPs	NPs	NNP
cord-351222-9bfchw4u	194	3	curcumin	curcumin	NN
cord-351222-9bfchw4u	194	4	and	and	CC
cord-351222-9bfchw4u	194	5	emodin	emodin	NN
cord-351222-9bfchw4u	194	6	as	as	IN
cord-351222-9bfchw4u	194	7	lead	lead	JJ
cord-351222-9bfchw4u	194	8	structures	structure	NNS
cord-351222-9bfchw4u	194	9	,	,	,
cord-351222-9bfchw4u	194	10	a	a	DT
cord-351222-9bfchw4u	194	11	virtual	virtual	JJ
cord-351222-9bfchw4u	194	12	screening	screening	NN
cord-351222-9bfchw4u	194	13	of	of	IN
cord-351222-9bfchw4u	194	14	an	an	DT
cord-351222-9bfchw4u	194	15	in	in	IN
cord-351222-9bfchw4u	194	16	-	-	HYPH
cord-351222-9bfchw4u	194	17	house	house	NN
cord-351222-9bfchw4u	194	18	database	database	NN
cord-351222-9bfchw4u	194	19	was	be	VBD
cord-351222-9bfchw4u	194	20	carried	carry	VBN
cord-351222-9bfchw4u	194	21	out	out	RP
cord-351222-9bfchw4u	194	22	.	.	.
cord-351222-9bfchw4u	195	1	Among	among	IN
cord-351222-9bfchw4u	195	2	the	the	DT
cord-351222-9bfchw4u	195	3	virtual	virtual	JJ
cord-351222-9bfchw4u	195	4	hits	hit	VBZ
cord-351222-9bfchw4u	195	5	seven	seven	CD
cord-351222-9bfchw4u	195	6	NPs	NPs	NNPS
cord-351222-9bfchw4u	195	7	,	,	,
cord-351222-9bfchw4u	195	8	e.g.	e.g.	RB
cord-351222-9bfchw4u	195	9	,	,	,
cord-351222-9bfchw4u	195	10	anthraquinone	anthraquinone	NN
cord-351222-9bfchw4u	195	11	(	(	-LRB-
cord-351222-9bfchw4u	195	12	9	9	CD
cord-351222-9bfchw4u	195	13	)	)	-RRB-
cord-351222-9bfchw4u	195	14	and	and	CC
cord-351222-9bfchw4u	195	15	piceatannol	piceatannol	NNP
cord-351222-9bfchw4u	195	16	(	(	-LRB-
cord-351222-9bfchw4u	195	17	10	10	CD
cord-351222-9bfchw4u	195	18	)	)	-RRB-
cord-351222-9bfchw4u	195	19	,	,	,
cord-351222-9bfchw4u	195	20	were	be	VBD
cord-351222-9bfchw4u	195	21	found	find	VBN
cord-351222-9bfchw4u	195	22	to	to	TO
cord-351222-9bfchw4u	195	23	significantly	significantly	RB
cord-351222-9bfchw4u	195	24	induce	induce	VB
cord-351222-9bfchw4u	195	25	apoptosis	apoptosis	NN
cord-351222-9bfchw4u	195	26	by	by	IN
cord-351222-9bfchw4u	195	27	inhibition	inhibition	NN
cord-351222-9bfchw4u	195	28	of	of	IN
cord-351222-9bfchw4u	195	29	the	the	DT
cord-351222-9bfchw4u	195	30	CSN	CSN	NNP
cord-351222-9bfchw4u	195	31	-	-	HYPH
cord-351222-9bfchw4u	195	32	associated	associate	VBN
cord-351222-9bfchw4u	195	33	kinases	kinase	NNS
cord-351222-9bfchw4u	195	34	using	use	VBG
cord-351222-9bfchw4u	195	35	in	in	IN
cord-351222-9bfchw4u	195	36	vitro	vitro	FW
cord-351222-9bfchw4u	195	37	and	and	CC
cord-351222-9bfchw4u	195	38	cell	cell	NN
cord-351222-9bfchw4u	195	39	culture	culture	NN
cord-351222-9bfchw4u	195	40	experiments	experiment	NNS
cord-351222-9bfchw4u	195	41	.	.	.
cord-351222-9bfchw4u	196	1	A	a	DT
cord-351222-9bfchw4u	196	2	further	further	JJ
cord-351222-9bfchw4u	196	3	study	study	NN
cord-351222-9bfchw4u	196	4	has	have	VBZ
cord-351222-9bfchw4u	196	5	demonstrated	demonstrate	VBN
cord-351222-9bfchw4u	196	6	the	the	DT
cord-351222-9bfchw4u	196	7	power	power	NN
cord-351222-9bfchw4u	196	8	of	of	IN
cord-351222-9bfchw4u	196	9	the	the	DT
cord-351222-9bfchw4u	196	10	ligand	ligand	NN
cord-351222-9bfchw4u	196	11	-	-	HYPH
cord-351222-9bfchw4u	196	12	based	base	VBN
cord-351222-9bfchw4u	196	13	approach	approach	NN
cord-351222-9bfchw4u	196	14	applied	apply	VBN
cord-351222-9bfchw4u	196	15	to	to	IN
cord-351222-9bfchw4u	196	16	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	196	17	modeling	modeling	NN
cord-351222-9bfchw4u	196	18	of	of	IN
cord-351222-9bfchw4u	196	19	sigma-1	sigma-1	NNP
cord-351222-9bfchw4u	196	20	ligands	ligand	NNS
cord-351222-9bfchw4u	196	21	[	[	-LRB-
cord-351222-9bfchw4u	196	22	68	68	CD
cord-351222-9bfchw4u	196	23	]	]	-RRB-
cord-351222-9bfchw4u	196	24	.	.	.
cord-351222-9bfchw4u	197	1	Therein	therein	RB
cord-351222-9bfchw4u	197	2	,	,	,
cord-351222-9bfchw4u	197	3	some	some	DT
cord-351222-9bfchw4u	197	4	reliable	reliable	JJ
cord-351222-9bfchw4u	197	5	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	197	6	models	model	NNS
cord-351222-9bfchw4u	197	7	could	could	MD
cord-351222-9bfchw4u	197	8	be	be	VB
cord-351222-9bfchw4u	197	9	extracted	extract	VBN
cord-351222-9bfchw4u	197	10	solely	solely	RB
cord-351222-9bfchw4u	197	11	from	from	IN
cord-351222-9bfchw4u	197	12	ligand	ligand	NN
cord-351222-9bfchw4u	197	13	structure	structure	NN
cord-351222-9bfchw4u	197	14	information	information	NN
cord-351222-9bfchw4u	197	15	.	.	.
cord-351222-9bfchw4u	198	1	Compounds	compound	NNS
cord-351222-9bfchw4u	198	2	with	with	IN
cord-351222-9bfchw4u	198	3	potent	potent	JJ
cord-351222-9bfchw4u	198	4	affinities	affinity	NNS
cord-351222-9bfchw4u	198	5	to	to	IN
cord-351222-9bfchw4u	198	6	the	the	DT
cord-351222-9bfchw4u	198	7	sigma-1	sigma-1	NNP
cord-351222-9bfchw4u	198	8	receptor	receptor	NN
cord-351222-9bfchw4u	198	9	known	know	VBN
cord-351222-9bfchw4u	198	10	from	from	IN
cord-351222-9bfchw4u	198	11	literature	literature	NN
cord-351222-9bfchw4u	198	12	were	be	VBD
cord-351222-9bfchw4u	198	13	structurally	structurally	RB
cord-351222-9bfchw4u	198	14	aligned	align	VBN
cord-351222-9bfchw4u	198	15	to	to	TO
cord-351222-9bfchw4u	198	16	derive	derive	VB
cord-351222-9bfchw4u	198	17	distinct	distinct	JJ
cord-351222-9bfchw4u	198	18	common	common	JJ
cord-351222-9bfchw4u	198	19	features	feature	NNS
cord-351222-9bfchw4u	198	20	.	.	.
cord-351222-9bfchw4u	199	1	Their	-PRON-	PRP$
cord-351222-9bfchw4u	199	2	3D	3d	JJ
cord-351222-9bfchw4u	199	3	arrangement	arrangement	NN
cord-351222-9bfchw4u	199	4	in	in	IN
cord-351222-9bfchw4u	199	5	combination	combination	NN
cord-351222-9bfchw4u	199	6	with	with	IN
cord-351222-9bfchw4u	199	7	a	a	DT
cord-351222-9bfchw4u	199	8	spatial	spatial	JJ
cord-351222-9bfchw4u	199	9	restriction	restriction	NN
cord-351222-9bfchw4u	199	10	was	be	VBD
cord-351222-9bfchw4u	199	11	then	then	RB
cord-351222-9bfchw4u	199	12	used	use	VBN
cord-351222-9bfchw4u	199	13	for	for	IN
cord-351222-9bfchw4u	199	14	the	the	DT
cord-351222-9bfchw4u	199	15	generation	generation	NN
cord-351222-9bfchw4u	199	16	of	of	IN
cord-351222-9bfchw4u	199	17	a	a	DT
cord-351222-9bfchw4u	199	18	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	199	19	model	model	NN
cord-351222-9bfchw4u	199	20	,	,	,
cord-351222-9bfchw4u	199	21	which	which	WDT
cord-351222-9bfchw4u	199	22	was	be	VBD
cord-351222-9bfchw4u	199	23	able	able	JJ
cord-351222-9bfchw4u	199	24	to	to	TO
cord-351222-9bfchw4u	199	25	retrieve	retrieve	VB
cord-351222-9bfchw4u	199	26	compounds	compound	NNS
cord-351222-9bfchw4u	199	27	with	with	IN
cord-351222-9bfchw4u	199	28	high	high	JJ
cord-351222-9bfchw4u	199	29	affinity	affinity	NN
cord-351222-9bfchw4u	199	30	values	value	NNS
cord-351222-9bfchw4u	199	31	,	,	,
cord-351222-9bfchw4u	199	32	among	among	IN
cord-351222-9bfchw4u	199	33	them	-PRON-	PRP
cord-351222-9bfchw4u	199	34	also	also	RB
cord-351222-9bfchw4u	199	35	NPs	NPs	NNP
cord-351222-9bfchw4u	199	36	,	,	,
cord-351222-9bfchw4u	199	37	like	like	IN
cord-351222-9bfchw4u	199	38	solanidine	solanidine	NNP
cord-351222-9bfchw4u	199	39	(	(	-LRB-
cord-351222-9bfchw4u	199	40	11	11	CD
cord-351222-9bfchw4u	199	41	)	)	-RRB-
cord-351222-9bfchw4u	199	42	.	.	.
cord-351222-9bfchw4u	200	1	Further	further	JJ
cord-351222-9bfchw4u	200	2	ligand	ligand	NN
cord-351222-9bfchw4u	200	3	-	-	HYPH
cord-351222-9bfchw4u	200	4	based	base	VBN
cord-351222-9bfchw4u	200	5	approaches	approach	NNS
cord-351222-9bfchw4u	200	6	use	use	VBP
cord-351222-9bfchw4u	200	7	various	various	JJ
cord-351222-9bfchw4u	200	8	forms	form	NNS
cord-351222-9bfchw4u	200	9	of	of	IN
cord-351222-9bfchw4u	200	10	discriminant	discriminant	NN
cord-351222-9bfchw4u	200	11	analysis	analysis	NN
cord-351222-9bfchw4u	200	12	,	,	,
cord-351222-9bfchw4u	200	13	e.g.	e.g.	RB
cord-351222-9bfchw4u	200	14	,	,	,
cord-351222-9bfchw4u	200	15	artificial	artificial	JJ
cord-351222-9bfchw4u	200	16	neural	neural	JJ
cord-351222-9bfchw4u	200	17	network	network	NN
cord-351222-9bfchw4u	200	18	simulations	simulation	NNS
cord-351222-9bfchw4u	200	19	.	.	.
cord-351222-9bfchw4u	201	1	They	-PRON-	PRP
cord-351222-9bfchw4u	201	2	are	be	VBP
cord-351222-9bfchw4u	201	3	based	base	VBN
cord-351222-9bfchw4u	201	4	on	on	IN
cord-351222-9bfchw4u	201	5	collections	collection	NNS
cord-351222-9bfchw4u	201	6	of	of	IN
cord-351222-9bfchw4u	201	7	mathematical	mathematical	JJ
cord-351222-9bfchw4u	201	8	models	model	NNS
cord-351222-9bfchw4u	201	9	that	that	WDT
cord-351222-9bfchw4u	201	10	are	be	VBP
cord-351222-9bfchw4u	201	11	interconnected	interconnect	VBN
cord-351222-9bfchw4u	201	12	and	and	CC
cord-351222-9bfchw4u	201	13	organized	organize	VBN
cord-351222-9bfchw4u	201	14	in	in	IN
cord-351222-9bfchw4u	201	15	different	different	JJ
cord-351222-9bfchw4u	201	16	layers	layer	NNS
cord-351222-9bfchw4u	201	17	.	.	.
cord-351222-9bfchw4u	202	1	They	-PRON-	PRP
cord-351222-9bfchw4u	202	2	are	be	VBP
cord-351222-9bfchw4u	202	3	analogous	analogous	JJ
cord-351222-9bfchw4u	202	4	to	to	IN
cord-351222-9bfchw4u	202	5	an	an	DT
cord-351222-9bfchw4u	202	6	adaptive	adaptive	JJ
cord-351222-9bfchw4u	202	7	human	human	JJ
cord-351222-9bfchw4u	202	8	learning	learning	NN
cord-351222-9bfchw4u	202	9	process	process	NN
cord-351222-9bfchw4u	202	10	and	and	CC
cord-351222-9bfchw4u	202	11	usually	usually	RB
cord-351222-9bfchw4u	202	12	trained	train	VBN
cord-351222-9bfchw4u	202	13	with	with	IN
cord-351222-9bfchw4u	202	14	learning	learn	VBG
cord-351222-9bfchw4u	202	15	sets	set	NNS
cord-351222-9bfchw4u	202	16	applying	apply	VBG
cord-351222-9bfchw4u	202	17	one	one	CD
cord-351222-9bfchw4u	202	18	or	or	CC
cord-351222-9bfchw4u	202	19	more	more	JJR
cord-351222-9bfchw4u	202	20	molecular	molecular	JJ
cord-351222-9bfchw4u	202	21	descriptors	descriptor	NNS
cord-351222-9bfchw4u	202	22	in	in	IN
cord-351222-9bfchw4u	202	23	order	order	NN
cord-351222-9bfchw4u	202	24	to	to	TO
cord-351222-9bfchw4u	202	25	form	form	VB
cord-351222-9bfchw4u	202	26	clusters	cluster	NNS
cord-351222-9bfchw4u	202	27	that	that	WDT
cord-351222-9bfchw4u	202	28	enable	enable	VBP
cord-351222-9bfchw4u	202	29	to	to	TO
cord-351222-9bfchw4u	202	30	distinguish	distinguish	VB
cord-351222-9bfchw4u	202	31	between	between	IN
cord-351222-9bfchw4u	202	32	different	different	JJ
cord-351222-9bfchw4u	202	33	objects	object	NNS
cord-351222-9bfchw4u	202	34	and	and	CC
cord-351222-9bfchw4u	202	35	their	-PRON-	PRP$
cord-351222-9bfchw4u	202	36	properties	property	NNS
cord-351222-9bfchw4u	202	37	.	.	.
cord-351222-9bfchw4u	203	1	The	the	DT
cord-351222-9bfchw4u	203	2	resulting	result	VBG
cord-351222-9bfchw4u	203	3	models	model	NNS
cord-351222-9bfchw4u	203	4	are	be	VBP
cord-351222-9bfchw4u	203	5	then	then	RB
cord-351222-9bfchw4u	203	6	applied	apply	VBN
cord-351222-9bfchw4u	203	7	to	to	TO
cord-351222-9bfchw4u	203	8	make	make	VB
cord-351222-9bfchw4u	203	9	predictions	prediction	NNS
cord-351222-9bfchw4u	203	10	on	on	IN
cord-351222-9bfchw4u	203	11	test	test	NN
cord-351222-9bfchw4u	203	12	sets	set	NNS
cord-351222-9bfchw4u	203	13	,	,	,
cord-351222-9bfchw4u	203	14	until	until	IN
cord-351222-9bfchw4u	203	15	the	the	DT
cord-351222-9bfchw4u	203	16	validated	validate	VBN
cord-351222-9bfchw4u	203	17	models	model	NNS
cord-351222-9bfchw4u	203	18	may	may	MD
cord-351222-9bfchw4u	203	19	be	be	VB
cord-351222-9bfchw4u	203	20	used	use	VBN
cord-351222-9bfchw4u	203	21	to	to	TO
cord-351222-9bfchw4u	203	22	derive	derive	VB
cord-351222-9bfchw4u	203	23	a	a	DT
cord-351222-9bfchw4u	203	24	QSAR	qsar	NN
cord-351222-9bfchw4u	203	25	of	of	IN
cord-351222-9bfchw4u	203	26	chemically	chemically	RB
cord-351222-9bfchw4u	203	27	related	relate	VBN
cord-351222-9bfchw4u	203	28	structures	structure	NNS
cord-351222-9bfchw4u	203	29	or	or	CC
cord-351222-9bfchw4u	203	30	to	to	IN
cord-351222-9bfchw4u	203	31	mine	mine	PRP$
cord-351222-9bfchw4u	203	32	larger	large	JJR
cord-351222-9bfchw4u	203	33	datasets	dataset	NNS
cord-351222-9bfchw4u	203	34	.	.	.
cord-351222-9bfchw4u	204	1	One	one	CD
cord-351222-9bfchw4u	204	2	may	may	MD
cord-351222-9bfchw4u	204	3	distinguish	distinguish	VB
cord-351222-9bfchw4u	204	4	between	between	IN
cord-351222-9bfchw4u	204	5	supervised	supervise	VBN
cord-351222-9bfchw4u	204	6	and	and	CC
cord-351222-9bfchw4u	204	7	unsupervised	unsupervise	VBN
cord-351222-9bfchw4u	204	8	(	(	-LRB-
cord-351222-9bfchw4u	204	9	e.g.	e.g.	RB
cord-351222-9bfchw4u	204	10	,	,	,
cord-351222-9bfchw4u	204	11	Kohonen	Kohonen	NNP
cord-351222-9bfchw4u	204	12	network	network	NN
cord-351222-9bfchw4u	204	13	)	)	-RRB-
cord-351222-9bfchw4u	204	14	learning	learning	NN
cord-351222-9bfchw4u	204	15	methods	method	NNS
cord-351222-9bfchw4u	204	16	as	as	IN
cord-351222-9bfchw4u	204	17	discussed	discuss	VBN
cord-351222-9bfchw4u	204	18	in	in	IN
cord-351222-9bfchw4u	204	19	detail	detail	NN
cord-351222-9bfchw4u	204	20	by	by	IN
cord-351222-9bfchw4u	204	21	Zupan	Zupan	NNP
cord-351222-9bfchw4u	204	22	and	and	CC
cord-351222-9bfchw4u	204	23	Gasteiger	Gasteiger	NNP
cord-351222-9bfchw4u	204	24	[	[	-LRB-
cord-351222-9bfchw4u	204	25	69	69	CD
cord-351222-9bfchw4u	204	26	]	]	-RRB-
cord-351222-9bfchw4u	204	27	.	.	.
cord-351222-9bfchw4u	205	1	A	a	DT
cord-351222-9bfchw4u	205	2	successful	successful	JJ
cord-351222-9bfchw4u	205	3	application	application	NN
cord-351222-9bfchw4u	205	4	example	example	NN
cord-351222-9bfchw4u	205	5	within	within	IN
cord-351222-9bfchw4u	205	6	the	the	DT
cord-351222-9bfchw4u	205	7	field	field	NN
cord-351222-9bfchw4u	205	8	of	of	IN
cord-351222-9bfchw4u	205	9	NPs	NPs	NNPS
cord-351222-9bfchw4u	205	10	was	be	VBD
cord-351222-9bfchw4u	205	11	published	publish	VBN
cord-351222-9bfchw4u	205	12	by	by	IN
cord-351222-9bfchw4u	205	13	Wagner	Wagner	NNP
cord-351222-9bfchw4u	205	14	et	et	NNP
cord-351222-9bfchw4u	205	15	al	al	NNP
cord-351222-9bfchw4u	205	16	.	.	.
cord-351222-9bfchw4u	206	1	[	[	-LRB-
cord-351222-9bfchw4u	206	2	70	70	CD
cord-351222-9bfchw4u	206	3	]	]	-RRB-
cord-351222-9bfchw4u	206	4	.	.	.
cord-351222-9bfchw4u	207	1	The	the	DT
cord-351222-9bfchw4u	207	2	authors	author	NNS
cord-351222-9bfchw4u	207	3	used	use	VBD
cord-351222-9bfchw4u	207	4	a	a	DT
cord-351222-9bfchw4u	207	5	dataset	dataset	NN
cord-351222-9bfchw4u	207	6	of	of	IN
cord-351222-9bfchw4u	207	7	103	103	CD
cord-351222-9bfchw4u	207	8	structurally	structurally	RB
cord-351222-9bfchw4u	207	9	diverse	diverse	JJ
cord-351222-9bfchw4u	207	10	sesquiterpene	sesquiterpene	JJ
cord-351222-9bfchw4u	207	11	lactones	lactone	NNS
cord-351222-9bfchw4u	207	12	with	with	IN
cord-351222-9bfchw4u	207	13	known	know	VBN
cord-351222-9bfchw4u	207	14	NF	nf	NN
cord-351222-9bfchw4u	207	15	-	-	HYPH
cord-351222-9bfchw4u	207	16	B	b	NN
cord-351222-9bfchw4u	207	17	inhibitory	inhibitory	JJ
cord-351222-9bfchw4u	207	18	activity	activity	NN
cord-351222-9bfchw4u	207	19	to	to	TO
cord-351222-9bfchw4u	207	20	derive	derive	VB
cord-351222-9bfchw4u	207	21	a	a	DT
cord-351222-9bfchw4u	207	22	QSAR	qsar	NN
cord-351222-9bfchw4u	207	23	.	.	.
cord-351222-9bfchw4u	208	1	By	by	IN
cord-351222-9bfchw4u	208	2	the	the	DT
cord-351222-9bfchw4u	208	3	application	application	NN
cord-351222-9bfchw4u	208	4	of	of	IN
cord-351222-9bfchw4u	208	5	multiple	multiple	JJ
cord-351222-9bfchw4u	208	6	3D	3d	JJ
cord-351222-9bfchw4u	208	7	structure	structure	NN
cord-351222-9bfchw4u	208	8	representations	representation	NNS
cord-351222-9bfchw4u	208	9	as	as	IN
cord-351222-9bfchw4u	208	10	descriptors	descriptor	NNS
cord-351222-9bfchw4u	208	11	,	,	,
cord-351222-9bfchw4u	208	12	a	a	DT
cord-351222-9bfchw4u	208	13	single	single	JJ
cord-351222-9bfchw4u	208	14	model	model	NN
cord-351222-9bfchw4u	208	15	was	be	VBD
cord-351222-9bfchw4u	208	16	achieved	achieve	VBN
cord-351222-9bfchw4u	208	17	which	which	WDT
cord-351222-9bfchw4u	208	18	provided	provide	VBD
cord-351222-9bfchw4u	208	19	detailed	detailed	JJ
cord-351222-9bfchw4u	208	20	information	information	NN
cord-351222-9bfchw4u	208	21	on	on	IN
cord-351222-9bfchw4u	208	22	the	the	DT
cord-351222-9bfchw4u	208	23	structural	structural	JJ
cord-351222-9bfchw4u	208	24	influence	influence	NN
cord-351222-9bfchw4u	208	25	of	of	IN
cord-351222-9bfchw4u	208	26	the	the	DT
cord-351222-9bfchw4u	208	27	investigated	investigate	VBN
cord-351222-9bfchw4u	208	28	biological	biological	JJ
cord-351222-9bfchw4u	208	29	activity	activity	NN
cord-351222-9bfchw4u	208	30	.	.	.
cord-351222-9bfchw4u	209	1	Sangma	Sangma	NNP
cord-351222-9bfchw4u	209	2	and	and	CC
cord-351222-9bfchw4u	209	3	co	co	NNS
cord-351222-9bfchw4u	209	4	-	-	NNS
cord-351222-9bfchw4u	209	5	authors	author	NNS
cord-351222-9bfchw4u	209	6	pursued	pursue	VBD
cord-351222-9bfchw4u	209	7	a	a	DT
cord-351222-9bfchw4u	209	8	combination	combination	NN
cord-351222-9bfchw4u	209	9	of	of	IN
cord-351222-9bfchw4u	209	10	two	two	CD
cord-351222-9bfchw4u	209	11	approaches	approach	NNS
cord-351222-9bfchw4u	209	12	to	to	TO
cord-351222-9bfchw4u	209	13	predict	predict	VB
cord-351222-9bfchw4u	209	14	new	new	JJ
cord-351222-9bfchw4u	209	15	inhibitors	inhibitor	NNS
cord-351222-9bfchw4u	209	16	of	of	IN
cord-351222-9bfchw4u	209	17	the	the	DT
cord-351222-9bfchw4u	209	18	HIV-1	HIV-1	NNP
cord-351222-9bfchw4u	209	19	RT	RT	NNP
cord-351222-9bfchw4u	209	20	and	and	CC
cord-351222-9bfchw4u	209	21	HIV-1	HIV-1	NNP
cord-351222-9bfchw4u	209	22	PR	PR	NNP
cord-351222-9bfchw4u	209	23	from	from	IN
cord-351222-9bfchw4u	209	24	a	a	DT
cord-351222-9bfchw4u	209	25	NP	NP	NNP
cord-351222-9bfchw4u	209	26	database	database	NN
cord-351222-9bfchw4u	209	27	comprising	comprise	VBG
cord-351222-9bfchw4u	209	28	metabolites	metabolite	NNS
cord-351222-9bfchw4u	209	29	from	from	IN
cord-351222-9bfchw4u	209	30	Thai	thai	JJ
cord-351222-9bfchw4u	209	31	medicinal	medicinal	JJ
cord-351222-9bfchw4u	209	32	plants	plant	NNS
cord-351222-9bfchw4u	209	33	.	.	.
cord-351222-9bfchw4u	210	1	After	after	IN
cord-351222-9bfchw4u	210	2	a	a	DT
cord-351222-9bfchw4u	210	3	high	high	JJ
cord-351222-9bfchw4u	210	4	throughput	throughput	NN
cord-351222-9bfchw4u	210	5	docking	docking	NN
cord-351222-9bfchw4u	210	6	of	of	IN
cord-351222-9bfchw4u	210	7	the	the	DT
cord-351222-9bfchw4u	210	8	molecules	molecule	NNS
cord-351222-9bfchw4u	210	9	into	into	IN
cord-351222-9bfchw4u	210	10	the	the	DT
cord-351222-9bfchw4u	210	11	target	target	NN
cord-351222-9bfchw4u	210	12	enzymes	enzyme	NNS
cord-351222-9bfchw4u	210	13	,	,	,
cord-351222-9bfchw4u	210	14	self	self	NN
cord-351222-9bfchw4u	210	15	-	-	HYPH
cord-351222-9bfchw4u	210	16	organizing	organize	VBG
cord-351222-9bfchw4u	210	17	maps	map	NNS
cord-351222-9bfchw4u	210	18	were	be	VBD
cord-351222-9bfchw4u	210	19	generated	generate	VBN
cord-351222-9bfchw4u	210	20	to	to	TO
cord-351222-9bfchw4u	210	21	reduce	reduce	VB
cord-351222-9bfchw4u	210	22	the	the	DT
cord-351222-9bfchw4u	210	23	number	number	NN
cord-351222-9bfchw4u	210	24	of	of	IN
cord-351222-9bfchw4u	210	25	promising	promising	JJ
cord-351222-9bfchw4u	210	26	candidates	candidate	NNS
cord-351222-9bfchw4u	210	27	to	to	TO
cord-351222-9bfchw4u	210	28	be	be	VB
cord-351222-9bfchw4u	210	29	tested	test	VBN
cord-351222-9bfchw4u	210	30	[	[	-LRB-
cord-351222-9bfchw4u	210	31	71	71	CD
cord-351222-9bfchw4u	210	32	]	]	-RRB-
cord-351222-9bfchw4u	210	33	.	.	.
cord-351222-9bfchw4u	211	1	A	a	DT
cord-351222-9bfchw4u	211	2	set	set	NN
cord-351222-9bfchw4u	211	3	of	of	IN
cord-351222-9bfchw4u	211	4	different	different	JJ
cord-351222-9bfchw4u	211	5	in	in	IN
cord-351222-9bfchw4u	211	6	silico	silico	NN
cord-351222-9bfchw4u	211	7	methodologies	methodology	NNS
cord-351222-9bfchw4u	211	8	was	be	VBD
cord-351222-9bfchw4u	211	9	previously	previously	RB
cord-351222-9bfchw4u	211	10	applied	apply	VBN
cord-351222-9bfchw4u	211	11	by	by	IN
cord-351222-9bfchw4u	211	12	Cherkasov	Cherkasov	NNP
cord-351222-9bfchw4u	211	13	and	and	CC
cord-351222-9bfchw4u	211	14	co	co	NNS
cord-351222-9bfchw4u	211	15	-	-	NNS
cord-351222-9bfchw4u	211	16	authors	author	NNS
cord-351222-9bfchw4u	211	17	to	to	TO
cord-351222-9bfchw4u	211	18	aid	aid	VB
cord-351222-9bfchw4u	211	19	in	in	IN
cord-351222-9bfchw4u	211	20	the	the	DT
cord-351222-9bfchw4u	211	21	discovery	discovery	NN
cord-351222-9bfchw4u	211	22	of	of	IN
cord-351222-9bfchw4u	211	23	natural	natural	JJ
cord-351222-9bfchw4u	211	24	non	non	JJ
cord-351222-9bfchw4u	211	25	-	-	JJ
cord-351222-9bfchw4u	211	26	steroidal	steroidal	JJ
cord-351222-9bfchw4u	211	27	ligands	ligand	NNS
cord-351222-9bfchw4u	211	28	for	for	IN
cord-351222-9bfchw4u	211	29	human	human	JJ
cord-351222-9bfchw4u	211	30	sex	sex	NN
cord-351222-9bfchw4u	211	31	hormone	hormone	NN
cord-351222-9bfchw4u	211	32	binding	bind	VBG
cord-351222-9bfchw4u	211	33	globulin	globulin	NN
cord-351222-9bfchw4u	211	34	[	[	-LRB-
cord-351222-9bfchw4u	211	35	72	72	CD
cord-351222-9bfchw4u	211	36	]	]	-RRB-
cord-351222-9bfchw4u	211	37	.	.	.
cord-351222-9bfchw4u	212	1	Therein	therein	RB
cord-351222-9bfchw4u	212	2	,	,	,
cord-351222-9bfchw4u	212	3	a	a	DT
cord-351222-9bfchw4u	212	4	rigorously	rigorously	RB
cord-351222-9bfchw4u	212	5	cross	cross	JJ
cord-351222-9bfchw4u	212	6	-	-	JJ
cord-351222-9bfchw4u	212	7	validated	validate	VBN
cord-351222-9bfchw4u	212	8	neural	neural	JJ
cord-351222-9bfchw4u	212	9	network	network	NN
cord-351222-9bfchw4u	212	10	based	base	VBN
cord-351222-9bfchw4u	212	11	QSAR	QSAR	NNP
cord-351222-9bfchw4u	212	12	model	model	NN
cord-351222-9bfchw4u	212	13	identified	identify	VBD
cord-351222-9bfchw4u	212	14	105	105	CD
cord-351222-9bfchw4u	212	15	prospective	prospective	JJ
cord-351222-9bfchw4u	212	16	compounds	compound	NNS
cord-351222-9bfchw4u	212	17	from	from	IN
cord-351222-9bfchw4u	212	18	a	a	DT
cord-351222-9bfchw4u	212	19	structure	structure	NN
cord-351222-9bfchw4u	212	20	collection	collection	NN
cord-351222-9bfchw4u	212	21	of	of	IN
cord-351222-9bfchw4u	212	22	23,836	23,836	CD
cord-351222-9bfchw4u	212	23	commercial	commercial	JJ
cord-351222-9bfchw4u	212	24	natural	natural	JJ
cord-351222-9bfchw4u	212	25	substances	substance	NNS
cord-351222-9bfchw4u	212	26	.	.	.
cord-351222-9bfchw4u	213	1	This	this	DT
cord-351222-9bfchw4u	213	2	stringent	stringent	JJ
cord-351222-9bfchw4u	213	3	QSAR	qsar	NN
cord-351222-9bfchw4u	213	4	ranking	ranking	NN
cord-351222-9bfchw4u	213	5	was	be	VBD
cord-351222-9bfchw4u	213	6	combined	combine	VBN
cord-351222-9bfchw4u	213	7	with	with	IN
cord-351222-9bfchw4u	213	8	docking	docking	NN
cord-351222-9bfchw4u	213	9	studies	study	NNS
cord-351222-9bfchw4u	213	10	and	and	CC
cord-351222-9bfchw4u	213	11	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	213	12	-	-	HYPH
cord-351222-9bfchw4u	213	13	aided	aid	VBN
cord-351222-9bfchw4u	213	14	database	database	NN
cord-351222-9bfchw4u	213	15	search	search	NN
cord-351222-9bfchw4u	213	16	.	.	.
cord-351222-9bfchw4u	214	1	The	the	DT
cord-351222-9bfchw4u	214	2	integrated	integrated	JJ
cord-351222-9bfchw4u	214	3	computational	computational	JJ
cord-351222-9bfchw4u	214	4	methods	method	NNS
cord-351222-9bfchw4u	214	5	resulted	result	VBD
cord-351222-9bfchw4u	214	6	in	in	IN
cord-351222-9bfchw4u	214	7	a	a	DT
cord-351222-9bfchw4u	214	8	convincing	convincing	JJ
cord-351222-9bfchw4u	214	9	predictive	predictive	JJ
cord-351222-9bfchw4u	214	10	tool	tool	NN
cord-351222-9bfchw4u	214	11	which	which	WDT
cord-351222-9bfchw4u	214	12	identified	identify	VBD
cord-351222-9bfchw4u	214	13	a	a	DT
cord-351222-9bfchw4u	214	14	set	set	NN
cord-351222-9bfchw4u	214	15	of	of	IN
cord-351222-9bfchw4u	214	16	29	29	CD
cord-351222-9bfchw4u	214	17	structurally	structurally	RB
cord-351222-9bfchw4u	214	18	diverse	diverse	JJ
cord-351222-9bfchw4u	214	19	NPs	NPs	NNP
cord-351222-9bfchw4u	214	20	,	,	,
cord-351222-9bfchw4u	214	21	of	of	IN
cord-351222-9bfchw4u	214	22	which	which	WDT
cord-351222-9bfchw4u	214	23	every	every	DT
cord-351222-9bfchw4u	214	24	fourth	fourth	JJ
cord-351222-9bfchw4u	214	25	compound	compound	NN
cord-351222-9bfchw4u	214	26	was	be	VBD
cord-351222-9bfchw4u	214	27	able	able	JJ
cord-351222-9bfchw4u	214	28	to	to	TO
cord-351222-9bfchw4u	214	29	inhibit	inhibit	VB
cord-351222-9bfchw4u	214	30	the	the	DT
cord-351222-9bfchw4u	214	31	target	target	NN
cord-351222-9bfchw4u	214	32	protein	protein	NN
cord-351222-9bfchw4u	214	33	in	in	IN
cord-351222-9bfchw4u	214	34	a	a	DT
cord-351222-9bfchw4u	214	35	micromolar	micromolar	JJ
cord-351222-9bfchw4u	214	36	range	range	NN
cord-351222-9bfchw4u	214	37	.	.	.
cord-351222-9bfchw4u	215	1	Compounds	compound	NNS
cord-351222-9bfchw4u	215	2	of	of	IN
cord-351222-9bfchw4u	215	3	arbitrary	arbitrary	JJ
cord-351222-9bfchw4u	215	4	structural	structural	JJ
cord-351222-9bfchw4u	215	5	diversity	diversity	NN
cord-351222-9bfchw4u	215	6	and	and	CC
cord-351222-9bfchw4u	215	7	with	with	IN
cord-351222-9bfchw4u	215	8	known	know	VBN
cord-351222-9bfchw4u	215	9	activity	activity	NN
cord-351222-9bfchw4u	215	10	against	against	IN
cord-351222-9bfchw4u	215	11	a	a	DT
cord-351222-9bfchw4u	215	12	target	target	NN
cord-351222-9bfchw4u	215	13	are	be	VBP
cord-351222-9bfchw4u	215	14	particularly	particularly	RB
cord-351222-9bfchw4u	215	15	suitable	suitable	JJ
cord-351222-9bfchw4u	215	16	not	not	RB
cord-351222-9bfchw4u	215	17	only	only	RB
cord-351222-9bfchw4u	215	18	for	for	IN
cord-351222-9bfchw4u	215	19	generating	generate	VBG
cord-351222-9bfchw4u	215	20	a	a	DT
cord-351222-9bfchw4u	215	21	ligand	ligand	NN
cord-351222-9bfchw4u	215	22	-	-	HYPH
cord-351222-9bfchw4u	215	23	based	base	VBN
cord-351222-9bfchw4u	215	24	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	215	25	model	model	NN
cord-351222-9bfchw4u	215	26	(	(	-LRB-
cord-351222-9bfchw4u	215	27	as	as	IN
cord-351222-9bfchw4u	215	28	described	describe	VBN
cord-351222-9bfchw4u	215	29	before	before	RB
cord-351222-9bfchw4u	215	30	)	)	-RRB-
cord-351222-9bfchw4u	215	31	,	,	,
cord-351222-9bfchw4u	215	32	but	but	CC
cord-351222-9bfchw4u	215	33	also	also	RB
cord-351222-9bfchw4u	215	34	for	for	IN
cord-351222-9bfchw4u	215	35	structure	structure	NN
cord-351222-9bfchw4u	215	36	similarity	similarity	NN
cord-351222-9bfchw4u	215	37	studies	study	NNS
cord-351222-9bfchw4u	215	38	using	use	VBG
cord-351222-9bfchw4u	215	39	a	a	DT
cord-351222-9bfchw4u	215	40	decision	decision	NN
cord-351222-9bfchw4u	215	41	tree	tree	NN
cord-351222-9bfchw4u	215	42	.	.	.
cord-351222-9bfchw4u	216	1	The	the	DT
cord-351222-9bfchw4u	216	2	object	object	NN
cord-351222-9bfchw4u	216	3	is	be	VBZ
cord-351222-9bfchw4u	216	4	to	to	TO
cord-351222-9bfchw4u	216	5	find	find	VB
cord-351222-9bfchw4u	216	6	as	as	RB
cord-351222-9bfchw4u	216	7	good	good	JJ
cord-351222-9bfchw4u	216	8	a	a	DT
cord-351222-9bfchw4u	216	9	distinction	distinction	NN
cord-351222-9bfchw4u	216	10	as	as	IN
cord-351222-9bfchw4u	216	11	possible	possible	JJ
cord-351222-9bfchw4u	216	12	on	on	IN
cord-351222-9bfchw4u	216	13	the	the	DT
cord-351222-9bfchw4u	216	14	basis	basis	NN
cord-351222-9bfchw4u	216	15	of	of	IN
cord-351222-9bfchw4u	216	16	a	a	DT
cord-351222-9bfchw4u	216	17	set	set	NN
cord-351222-9bfchw4u	216	18	of	of	IN
cord-351222-9bfchw4u	216	19	molecular	molecular	JJ
cord-351222-9bfchw4u	216	20	descriptors	descriptor	NNS
cord-351222-9bfchw4u	216	21	,	,	,
cord-351222-9bfchw4u	216	22	which	which	WDT
cord-351222-9bfchw4u	216	23	identify	identify	VBP
cord-351222-9bfchw4u	216	24	molecular	molecular	JJ
cord-351222-9bfchw4u	216	25	features	feature	NNS
cord-351222-9bfchw4u	216	26	shared	share	VBN
cord-351222-9bfchw4u	216	27	by	by	IN
cord-351222-9bfchw4u	216	28	different	different	JJ
cord-351222-9bfchw4u	216	29	subsets	subset	NNS
cord-351222-9bfchw4u	216	30	of	of	IN
cord-351222-9bfchw4u	216	31	active	active	JJ
cord-351222-9bfchw4u	216	32	compounds	compound	NNS
cord-351222-9bfchw4u	216	33	and	and	CC
cord-351222-9bfchw4u	216	34	accordingly	accordingly	RB
cord-351222-9bfchw4u	216	35	filter	filter	VB
cord-351222-9bfchw4u	216	36	out	out	RP
cord-351222-9bfchw4u	216	37	compounds	compound	NNS
cord-351222-9bfchw4u	216	38	within	within	IN
cord-351222-9bfchw4u	216	39	the	the	DT
cord-351222-9bfchw4u	216	40	dataset	dataset	NN
cord-351222-9bfchw4u	216	41	in	in	IN
cord-351222-9bfchw4u	216	42	which	which	WDT
cord-351222-9bfchw4u	216	43	these	these	DT
cord-351222-9bfchw4u	216	44	combinations	combination	NNS
cord-351222-9bfchw4u	216	45	are	be	VBP
cord-351222-9bfchw4u	216	46	lacking	lack	VBG
cord-351222-9bfchw4u	216	47	.	.	.
cord-351222-9bfchw4u	217	1	Using	use	VBG
cord-351222-9bfchw4u	217	2	not	not	RB
cord-351222-9bfchw4u	217	3	only	only	RB
cord-351222-9bfchw4u	217	4	a	a	DT
cord-351222-9bfchw4u	217	5	simple	simple	JJ
cord-351222-9bfchw4u	217	6	logical	logical	JJ
cord-351222-9bfchw4u	217	7	description	description	NN
cord-351222-9bfchw4u	217	8	of	of	IN
cord-351222-9bfchw4u	217	9	one	one	CD
cord-351222-9bfchw4u	217	10	model	model	NN
cord-351222-9bfchw4u	217	11	,	,	,
cord-351222-9bfchw4u	217	12	but	but	CC
cord-351222-9bfchw4u	217	13	an	an	DT
cord-351222-9bfchw4u	217	14	ensemble	ensemble	NN
cord-351222-9bfchw4u	217	15	of	of	IN
cord-351222-9bfchw4u	217	16	decision	decision	NN
cord-351222-9bfchw4u	217	17	trees	tree	NNS
cord-351222-9bfchw4u	217	18	tend	tend	VBP
cord-351222-9bfchw4u	217	19	to	to	TO
cord-351222-9bfchw4u	217	20	be	be	VB
cord-351222-9bfchw4u	217	21	the	the	DT
cord-351222-9bfchw4u	217	22	preferred	preferred	JJ
cord-351222-9bfchw4u	217	23	option	option	NN
cord-351222-9bfchw4u	217	24	,	,	,
cord-351222-9bfchw4u	217	25	since	since	IN
cord-351222-9bfchw4u	217	26	the	the	DT
cord-351222-9bfchw4u	217	27	consensus	consensus	NN
cord-351222-9bfchw4u	217	28	voting	voting	NN
cord-351222-9bfchw4u	217	29	among	among	IN
cord-351222-9bfchw4u	217	30	trees	tree	NNS
cord-351222-9bfchw4u	217	31	give	give	VBP
cord-351222-9bfchw4u	217	32	the	the	DT
cord-351222-9bfchw4u	217	33	approach	approach	NN
cord-351222-9bfchw4u	217	34	higher	high	JJR
cord-351222-9bfchw4u	217	35	predictive	predictive	JJ
cord-351222-9bfchw4u	217	36	accuracy	accuracy	NN
cord-351222-9bfchw4u	217	37	.	.	.
cord-351222-9bfchw4u	218	1	One	one	CD
cord-351222-9bfchw4u	218	2	form	form	NN
cord-351222-9bfchw4u	218	3	of	of	IN
cord-351222-9bfchw4u	218	4	multiple	multiple	JJ
cord-351222-9bfchw4u	218	5	decision	decision	NN
cord-351222-9bfchw4u	218	6	trees	tree	NNS
cord-351222-9bfchw4u	218	7	well	well	RB
cord-351222-9bfchw4u	218	8	performed	perform	VBN
cord-351222-9bfchw4u	218	9	to	to	IN
cord-351222-9bfchw4u	218	10	virtually	virtually	RB
cord-351222-9bfchw4u	218	11	screen	screen	VB
cord-351222-9bfchw4u	218	12	large	large	JJ
cord-351222-9bfchw4u	218	13	3D	3d	JJ
cord-351222-9bfchw4u	218	14	databases	database	NNS
cord-351222-9bfchw4u	218	15	is	be	VBZ
cord-351222-9bfchw4u	218	16	Random	Random	NNP
cord-351222-9bfchw4u	218	17	Forest	Forest	NNP
cord-351222-9bfchw4u	218	18	[	[	-LRB-
cord-351222-9bfchw4u	218	19	73	73	CD
cord-351222-9bfchw4u	218	20	]	]	-RRB-
cord-351222-9bfchw4u	218	21	.	.	.
cord-351222-9bfchw4u	219	1	This	this	DT
cord-351222-9bfchw4u	219	2	chemoinformatic	chemoinformatic	JJ
cord-351222-9bfchw4u	219	3	method	method	NN
cord-351222-9bfchw4u	219	4	was	be	VBD
cord-351222-9bfchw4u	219	5	recently	recently	RB
cord-351222-9bfchw4u	219	6	applied	apply	VBN
cord-351222-9bfchw4u	219	7	in	in	IN
cord-351222-9bfchw4u	219	8	a	a	DT
cord-351222-9bfchw4u	219	9	theoretical	theoretical	JJ
cord-351222-9bfchw4u	219	10	work	work	NN
cord-351222-9bfchw4u	219	11	performed	perform	VBN
cord-351222-9bfchw4u	219	12	by	by	IN
cord-351222-9bfchw4u	219	13	Ehrman	Ehrman	NNP
cord-351222-9bfchw4u	219	14	and	and	CC
cord-351222-9bfchw4u	219	15	co	co	NNS
cord-351222-9bfchw4u	219	16	-	-	NNS
cord-351222-9bfchw4u	219	17	workers	worker	NNS
cord-351222-9bfchw4u	219	18	to	to	TO
cord-351222-9bfchw4u	219	19	predict	predict	VB
cord-351222-9bfchw4u	219	20	ligands	ligand	NNS
cord-351222-9bfchw4u	219	21	of	of	IN
cord-351222-9bfchw4u	219	22	multiple	multiple	JJ
cord-351222-9bfchw4u	219	23	targets	target	NNS
cord-351222-9bfchw4u	219	24	,	,	,
cord-351222-9bfchw4u	219	25	like	like	IN
cord-351222-9bfchw4u	219	26	cyclooxygenase	cyclooxygenase	NN
cord-351222-9bfchw4u	219	27	(	(	-LRB-
cord-351222-9bfchw4u	219	28	COX	COX	NNP
cord-351222-9bfchw4u	219	29	)	)	-RRB-
cord-351222-9bfchw4u	219	30	,	,	,
cord-351222-9bfchw4u	219	31	lipoxygenase	lipoxygenase	NNP
cord-351222-9bfchw4u	219	32	(	(	-LRB-
cord-351222-9bfchw4u	219	33	LOX	LOX	NNP
cord-351222-9bfchw4u	219	34	)	)	-RRB-
cord-351222-9bfchw4u	219	35	,	,	,
cord-351222-9bfchw4u	219	36	aldose	aldose	NNS
cord-351222-9bfchw4u	219	37	reductase	reductase	NN
cord-351222-9bfchw4u	219	38	,	,	,
cord-351222-9bfchw4u	219	39	HIV-1	HIV-1	NNP
cord-351222-9bfchw4u	219	40	enzymes	enzyme	NNS
cord-351222-9bfchw4u	219	41	etc	etc	FW
cord-351222-9bfchw4u	219	42	.	.	FW
cord-351222-9bfchw4u	219	43	,	,	,
cord-351222-9bfchw4u	219	44	from	from	IN
cord-351222-9bfchw4u	219	45	a	a	DT
cord-351222-9bfchw4u	219	46	large	large	JJ
cord-351222-9bfchw4u	219	47	dataset	dataset	NN
cord-351222-9bfchw4u	219	48	of	of	IN
cord-351222-9bfchw4u	219	49	Chinese	chinese	JJ
cord-351222-9bfchw4u	219	50	herbs	herb	NNS
cord-351222-9bfchw4u	219	51	[	[	-LRB-
cord-351222-9bfchw4u	219	52	74	74	CD
cord-351222-9bfchw4u	219	53	]	]	-RRB-
cord-351222-9bfchw4u	219	54	.	.	.
cord-351222-9bfchw4u	220	1	The	the	DT
cord-351222-9bfchw4u	220	2	advent	advent	NN
cord-351222-9bfchw4u	220	3	of	of	IN
cord-351222-9bfchw4u	220	4	structure	structure	NN
cord-351222-9bfchw4u	220	5	databases	database	NNS
cord-351222-9bfchw4u	220	6	has	have	VBZ
cord-351222-9bfchw4u	220	7	provided	provide	VBN
cord-351222-9bfchw4u	220	8	a	a	DT
cord-351222-9bfchw4u	220	9	basis	basis	NN
cord-351222-9bfchw4u	220	10	for	for	IN
cord-351222-9bfchw4u	220	11	the	the	DT
cord-351222-9bfchw4u	220	12	development	development	NN
cord-351222-9bfchw4u	220	13	and	and	CC
cord-351222-9bfchw4u	220	14	feasibility	feasibility	NN
cord-351222-9bfchw4u	220	15	of	of	IN
cord-351222-9bfchw4u	220	16	automatic	automatic	JJ
cord-351222-9bfchw4u	220	17	methods	method	NNS
cord-351222-9bfchw4u	220	18	for	for	IN
cord-351222-9bfchw4u	220	19	the	the	DT
cord-351222-9bfchw4u	220	20	search	search	NN
cord-351222-9bfchw4u	220	21	of	of	IN
cord-351222-9bfchw4u	220	22	new	new	JJ
cord-351222-9bfchw4u	220	23	lead	lead	JJ
cord-351222-9bfchw4u	220	24	structures	structure	NNS
cord-351222-9bfchw4u	220	25	.	.	.
cord-351222-9bfchw4u	221	1	Conceptually	conceptually	RB
cord-351222-9bfchw4u	221	2	,	,	,
cord-351222-9bfchw4u	221	3	all	all	PDT
cord-351222-9bfchw4u	221	4	the	the	DT
cord-351222-9bfchw4u	221	5	virtual	virtual	JJ
cord-351222-9bfchw4u	221	6	screening	screening	NN
cord-351222-9bfchw4u	221	7	concepts	concept	NNS
cord-351222-9bfchw4u	221	8	presented	present	VBN
cord-351222-9bfchw4u	221	9	above	above	RB
cord-351222-9bfchw4u	221	10	have	have	VBP
cord-351222-9bfchw4u	221	11	their	-PRON-	PRP$
cord-351222-9bfchw4u	221	12	origins	origin	NNS
cord-351222-9bfchw4u	221	13	in	in	IN
cord-351222-9bfchw4u	221	14	synthetic	synthetic	JJ
cord-351222-9bfchw4u	221	15	chemistry	chemistry	NN
cord-351222-9bfchw4u	221	16	.	.	.
cord-351222-9bfchw4u	222	1	Their	-PRON-	PRP$
cord-351222-9bfchw4u	222	2	application	application	NN
cord-351222-9bfchw4u	222	3	,	,	,
cord-351222-9bfchw4u	222	4	however	however	RB
cord-351222-9bfchw4u	222	5	,	,	,
cord-351222-9bfchw4u	222	6	is	be	VBZ
cord-351222-9bfchw4u	222	7	just	just	RB
cord-351222-9bfchw4u	222	8	as	as	RB
cord-351222-9bfchw4u	222	9	well	well	RB
cord-351222-9bfchw4u	222	10	adaptable	adaptable	JJ
cord-351222-9bfchw4u	222	11	to	to	IN
cord-351222-9bfchw4u	222	12	NPs	NPs	NNP
cord-351222-9bfchw4u	222	13	'	'	POS
cord-351222-9bfchw4u	222	14	chemistry	chemistry	NN
cord-351222-9bfchw4u	222	15	.	.	.
cord-351222-9bfchw4u	223	1	Prior	prior	RB
cord-351222-9bfchw4u	223	2	to	to	IN
cord-351222-9bfchw4u	223	3	the	the	DT
cord-351222-9bfchw4u	223	4	in	in	IN
cord-351222-9bfchw4u	223	5	silico	silico	NN
cord-351222-9bfchw4u	223	6	filtering	filtering	NN
cord-351222-9bfchw4u	223	7	experiment	experiment	NN
cord-351222-9bfchw4u	223	8	,	,	,
cord-351222-9bfchw4u	223	9	a	a	DT
cord-351222-9bfchw4u	223	10	3D	3d	JJ
cord-351222-9bfchw4u	223	11	structure	structure	NN
cord-351222-9bfchw4u	223	12	database	database	NN
cord-351222-9bfchw4u	223	13	requires	require	VBZ
cord-351222-9bfchw4u	223	14	an	an	DT
cord-351222-9bfchw4u	223	15	efficient	efficient	JJ
cord-351222-9bfchw4u	223	16	generation	generation	NN
cord-351222-9bfchw4u	223	17	of	of	IN
cord-351222-9bfchw4u	223	18	reasonable	reasonable	JJ
cord-351222-9bfchw4u	223	19	,	,	,
cord-351222-9bfchw4u	223	20	energetically	energetically	RB
cord-351222-9bfchw4u	223	21	minimized	minimize	VBN
cord-351222-9bfchw4u	223	22	conformations	conformation	NNS
cord-351222-9bfchw4u	223	23	assumed	assume	VBD
cord-351222-9bfchw4u	223	24	to	to	TO
cord-351222-9bfchw4u	223	25	meet	meet	VB
cord-351222-9bfchw4u	223	26	approximately	approximately	RB
cord-351222-9bfchw4u	223	27	those	those	DT
cord-351222-9bfchw4u	223	28	conformations	conformation	NNS
cord-351222-9bfchw4u	223	29	that	that	WDT
cord-351222-9bfchw4u	223	30	might	may	MD
cord-351222-9bfchw4u	223	31	be	be	VB
cord-351222-9bfchw4u	223	32	of	of	IN
cord-351222-9bfchw4u	223	33	biological	biological	JJ
cord-351222-9bfchw4u	223	34	relevance	relevance	NN
cord-351222-9bfchw4u	223	35	[	[	-LRB-
cord-351222-9bfchw4u	223	36	75	75	CD
cord-351222-9bfchw4u	223	37	]	]	-RRB-
cord-351222-9bfchw4u	223	38	.	.	.
cord-351222-9bfchw4u	224	1	The	the	DT
cord-351222-9bfchw4u	224	2	underlying	underlie	VBG
cord-351222-9bfchw4u	224	3	algorithms	algorithm	NNS
cord-351222-9bfchw4u	224	4	for	for	IN
cord-351222-9bfchw4u	224	5	3D	3d	JJ
cord-351222-9bfchw4u	224	6	structure	structure	NN
cord-351222-9bfchw4u	224	7	generation	generation	NN
cord-351222-9bfchw4u	224	8	and	and	CC
cord-351222-9bfchw4u	224	9	conformation	conformation	NN
cord-351222-9bfchw4u	224	10	analysis	analysis	NN
cord-351222-9bfchw4u	224	11	are	be	VBP
cord-351222-9bfchw4u	224	12	implemented	implement	VBN
cord-351222-9bfchw4u	224	13	in	in	IN
cord-351222-9bfchw4u	224	14	commercial	commercial	JJ
cord-351222-9bfchw4u	224	15	software	software	NN
cord-351222-9bfchw4u	224	16	tools	tool	NNS
cord-351222-9bfchw4u	224	17	,	,	,
cord-351222-9bfchw4u	224	18	e.g.	e.g.	RB
cord-351222-9bfchw4u	224	19	,	,	,
cord-351222-9bfchw4u	224	20	in	in	IN
cord-351222-9bfchw4u	224	21	CORINA	CORINA	NNP
cord-351222-9bfchw4u	224	22	[	[	-LRB-
cord-351222-9bfchw4u	224	23	21	21	CD
cord-351222-9bfchw4u	224	24	]	]	-RRB-
cord-351222-9bfchw4u	224	25	or	or	CC
cord-351222-9bfchw4u	224	26	the	the	DT
cord-351222-9bfchw4u	224	27	CATALYST	catalyst	NN
cord-351222-9bfchw4u	224	28	program	program	NN
cord-351222-9bfchw4u	224	29	(	(	-LRB-
cord-351222-9bfchw4u	224	30	CATALYST	catalyst	NN
cord-351222-9bfchw4u	224	31	,	,	,
cord-351222-9bfchw4u	224	32	available	available	JJ
cord-351222-9bfchw4u	224	33	from	from	IN
cord-351222-9bfchw4u	224	34	Accelrys	Accelrys	NNP
cord-351222-9bfchw4u	224	35	Inc.	Inc.	NNP
cord-351222-9bfchw4u	224	36	,	,	,
cord-351222-9bfchw4u	224	37	San	San	NNP
cord-351222-9bfchw4u	224	38	Diego	Diego	NNP
cord-351222-9bfchw4u	224	39	,	,	,
cord-351222-9bfchw4u	224	40	CA	CA	NNP
cord-351222-9bfchw4u	224	41	,	,	,
cord-351222-9bfchw4u	224	42	USA	USA	NNP
cord-351222-9bfchw4u	224	43	;	;	:
cord-351222-9bfchw4u	224	44	www.accelrys.com	www.accelrys.com	ADD
cord-351222-9bfchw4u	224	45	)	)	-RRB-
cord-351222-9bfchw4u	224	46	.	.	.
cord-351222-9bfchw4u	225	1	In	in	IN
cord-351222-9bfchw4u	225	2	the	the	DT
cord-351222-9bfchw4u	225	3	field	field	NN
cord-351222-9bfchw4u	225	4	of	of	IN
cord-351222-9bfchw4u	225	5	NPs	NPs	NNP
cord-351222-9bfchw4u	225	6	the	the	DT
cord-351222-9bfchw4u	225	7	virtual	virtual	JJ
cord-351222-9bfchw4u	225	8	screening	screening	NN
cord-351222-9bfchw4u	225	9	application	application	NN
cord-351222-9bfchw4u	225	10	is	be	VBZ
cord-351222-9bfchw4u	225	11	mainly	mainly	RB
cord-351222-9bfchw4u	225	12	restricted	restrict	VBN
cord-351222-9bfchw4u	225	13	due	due	IN
cord-351222-9bfchw4u	225	14	to	to	IN
cord-351222-9bfchw4u	225	15	the	the	DT
cord-351222-9bfchw4u	225	16	lack	lack	NN
cord-351222-9bfchw4u	225	17	of	of	IN
cord-351222-9bfchw4u	225	18	searchable	searchable	JJ
cord-351222-9bfchw4u	225	19	resources	resource	NNS
cord-351222-9bfchw4u	225	20	for	for	IN
cord-351222-9bfchw4u	225	21	structurally	structurally	RB
cord-351222-9bfchw4u	225	22	well	well	RB
cord-351222-9bfchw4u	225	23	defined	define	VBN
cord-351222-9bfchw4u	225	24	natural	natural	JJ
cord-351222-9bfchw4u	225	25	compounds	compound	NNS
cord-351222-9bfchw4u	225	26	.	.	.
cord-351222-9bfchw4u	226	1	In	in	IN
cord-351222-9bfchw4u	226	2	general	general	JJ
cord-351222-9bfchw4u	226	3	,	,	,
cord-351222-9bfchw4u	226	4	molecular	molecular	JJ
cord-351222-9bfchw4u	226	5	databases	database	NNS
cord-351222-9bfchw4u	226	6	with	with	IN
cord-351222-9bfchw4u	226	7	free	free	JJ
cord-351222-9bfchw4u	226	8	access	access	NN
cord-351222-9bfchw4u	226	9	on	on	IN
cord-351222-9bfchw4u	226	10	the	the	DT
cord-351222-9bfchw4u	226	11	internet	internet	NN
cord-351222-9bfchw4u	226	12	may	may	MD
cord-351222-9bfchw4u	226	13	comprise	comprise	VB
cord-351222-9bfchw4u	226	14	a	a	DT
cord-351222-9bfchw4u	226	15	high	high	JJ
cord-351222-9bfchw4u	226	16	number	number	NN
cord-351222-9bfchw4u	226	17	of	of	IN
cord-351222-9bfchw4u	226	18	molecules	molecule	NNS
cord-351222-9bfchw4u	226	19	,	,	,
cord-351222-9bfchw4u	226	20	e.g.	e.g.	RB
cord-351222-9bfchw4u	226	21	,	,	,
cord-351222-9bfchw4u	226	22	ChemBank	ChemBank	NNP
cord-351222-9bfchw4u	226	23	(	(	-LRB-
cord-351222-9bfchw4u	226	24	>	>	NFP
cord-351222-9bfchw4u	226	25	1,100,000	1,100,000	CD
cord-351222-9bfchw4u	226	26	,	,	,
cord-351222-9bfchw4u	226	27	http://chembank.broad.harvard.edu	http://chembank.broad.harvard.edu	ADD
cord-351222-9bfchw4u	226	28	)	)	-RRB-
cord-351222-9bfchw4u	226	29	or	or	CC
cord-351222-9bfchw4u	226	30	PubChem	PubChem	NNP
cord-351222-9bfchw4u	226	31	(	(	-LRB-
cord-351222-9bfchw4u	226	32	>	>	NFP
cord-351222-9bfchw4u	226	33	5,000,000	5,000,000	CD
cord-351222-9bfchw4u	226	34	;	;	:
cord-351222-9bfchw4u	226	35	http://	http://	NNP
cord-351222-9bfchw4u	226	36	pubchem.ncbi.nlm.nih.gov	pubchem.ncbi.nlm.nih.gov	NNP
cord-351222-9bfchw4u	226	37	)	)	-RRB-
cord-351222-9bfchw4u	226	38	;	;	:
cord-351222-9bfchw4u	226	39	however	however	RB
cord-351222-9bfchw4u	226	40	,	,	,
cord-351222-9bfchw4u	226	41	information	information	NN
cord-351222-9bfchw4u	226	42	about	about	IN
cord-351222-9bfchw4u	226	43	the	the	DT
cord-351222-9bfchw4u	226	44	number	number	NN
cord-351222-9bfchw4u	226	45	of	of	IN
cord-351222-9bfchw4u	226	46	contained	contain	VBN
cord-351222-9bfchw4u	226	47	natural	natural	JJ
cord-351222-9bfchw4u	226	48	molecules	molecule	NNS
cord-351222-9bfchw4u	226	49	is	be	VBZ
cord-351222-9bfchw4u	226	50	rarely	rarely	RB
cord-351222-9bfchw4u	226	51	available	available	JJ
cord-351222-9bfchw4u	226	52	.	.	.
cord-351222-9bfchw4u	227	1	The	the	DT
cord-351222-9bfchw4u	227	2	library	library	NN
cord-351222-9bfchw4u	227	3	of	of	IN
cord-351222-9bfchw4u	227	4	the	the	DT
cord-351222-9bfchw4u	227	5	National	National	NNP
cord-351222-9bfchw4u	227	6	Cancer	Cancer	NNP
cord-351222-9bfchw4u	227	7	Institute	Institute	NNP
cord-351222-9bfchw4u	227	8	(	(	-LRB-
cord-351222-9bfchw4u	227	9	NCI	NCI	NNP
cord-351222-9bfchw4u	227	10	)	)	-RRB-
cord-351222-9bfchw4u	227	11	stores	store	NNS
cord-351222-9bfchw4u	227	12	structural	structural	JJ
cord-351222-9bfchw4u	227	13	information	information	NN
cord-351222-9bfchw4u	227	14	of	of	IN
cord-351222-9bfchw4u	227	15	more	more	JJR
cord-351222-9bfchw4u	227	16	than	than	IN
cord-351222-9bfchw4u	227	17	half	half	PDT
cord-351222-9bfchw4u	227	18	a	a	DT
cord-351222-9bfchw4u	227	19	million	million	CD
cord-351222-9bfchw4u	227	20	compounds	compound	NNS
cord-351222-9bfchw4u	227	21	from	from	IN
cord-351222-9bfchw4u	227	22	both	both	CC
cord-351222-9bfchw4u	227	23	synthetic	synthetic	JJ
cord-351222-9bfchw4u	227	24	and	and	CC
cord-351222-9bfchw4u	227	25	natural	natural	JJ
cord-351222-9bfchw4u	227	26	origin	origin	NN
cord-351222-9bfchw4u	227	27	that	that	WDT
cord-351222-9bfchw4u	227	28	have	have	VBP
cord-351222-9bfchw4u	227	29	been	be	VBN
cord-351222-9bfchw4u	227	30	collected	collect	VBN
cord-351222-9bfchw4u	227	31	and	and	CC
cord-351222-9bfchw4u	227	32	tested	test	VBN
cord-351222-9bfchw4u	227	33	by	by	IN
cord-351222-9bfchw4u	227	34	the	the	DT
cord-351222-9bfchw4u	227	35	NCI	NCI	NNP
cord-351222-9bfchw4u	227	36	since	since	IN
cord-351222-9bfchw4u	227	37	1955	1955	CD
cord-351222-9bfchw4u	227	38	.	.	.
cord-351222-9bfchw4u	228	1	About	about	RB
cord-351222-9bfchw4u	228	2	half	half	NN
cord-351222-9bfchw4u	228	3	of	of	IN
cord-351222-9bfchw4u	228	4	the	the	DT
cord-351222-9bfchw4u	228	5	synthetic	synthetic	JJ
cord-351222-9bfchw4u	228	6	compounds	compound	NNS
cord-351222-9bfchw4u	228	7	,	,	,
cord-351222-9bfchw4u	228	8	which	which	WDT
cord-351222-9bfchw4u	228	9	represent	represent	VBP
cord-351222-9bfchw4u	228	10	the	the	DT
cord-351222-9bfchw4u	228	11	large	large	JJ
cord-351222-9bfchw4u	228	12	majority	majority	NN
cord-351222-9bfchw4u	228	13	of	of	IN
cord-351222-9bfchw4u	228	14	the	the	DT
cord-351222-9bfchw4u	228	15	samples	sample	NNS
cord-351222-9bfchw4u	228	16	,	,	,
cord-351222-9bfchw4u	228	17	may	may	MD
cord-351222-9bfchw4u	228	18	be	be	VB
cord-351222-9bfchw4u	228	19	used	use	VBN
cord-351222-9bfchw4u	228	20	for	for	IN
cord-351222-9bfchw4u	228	21	free	free	JJ
cord-351222-9bfchw4u	228	22	and	and	CC
cord-351222-9bfchw4u	228	23	are	be	VBP
cord-351222-9bfchw4u	228	24	thus	thus	RB
cord-351222-9bfchw4u	228	25	in	in	IN
cord-351222-9bfchw4u	228	26	the	the	DT
cord-351222-9bfchw4u	228	27	public	public	JJ
cord-351222-9bfchw4u	228	28	domain	domain	NN
cord-351222-9bfchw4u	228	29	.	.	.
cord-351222-9bfchw4u	229	1	It	-PRON-	PRP
cord-351222-9bfchw4u	229	2	is	be	VBZ
cord-351222-9bfchw4u	229	3	called	call	VBN
cord-351222-9bfchw4u	229	4	the	the	DT
cord-351222-9bfchw4u	229	5	'	'	``
cord-351222-9bfchw4u	229	6	Open	Open	NNP
cord-351222-9bfchw4u	229	7	NCI	NCI	NNP
cord-351222-9bfchw4u	229	8	Database	Database	NNP
cord-351222-9bfchw4u	229	9	'	'	''
cord-351222-9bfchw4u	229	10	(	(	-LRB-
cord-351222-9bfchw4u	229	11	Development	Development	NNP
cord-351222-9bfchw4u	229	12	Therapeutics	Therapeutics	NNP
cord-351222-9bfchw4u	229	13	Program	Program	NNP
cord-351222-9bfchw4u	229	14	NCI	NCI	NNP
cord-351222-9bfchw4u	229	15	/	/	SYM
cord-351222-9bfchw4u	229	16	NIH	NIH	NNP
cord-351222-9bfchw4u	229	17	;	;	:
cord-351222-9bfchw4u	229	18	http://dtp.nci	http://dtp.nci	ADD
cord-351222-9bfchw4u	229	19	.	.	.
cord-351222-9bfchw4u	230	1	nih.gov/webdata.html	nih.gov/webdata.html	NNP
cord-351222-9bfchw4u	230	2	)	)	-RRB-
cord-351222-9bfchw4u	230	3	.	.	.
cord-351222-9bfchw4u	231	1	An	an	DT
cord-351222-9bfchw4u	231	2	interesting	interesting	JJ
cord-351222-9bfchw4u	231	3	property	property	NN
cord-351222-9bfchw4u	231	4	prediction	prediction	NN
cord-351222-9bfchw4u	231	5	approach	approach	NN
cord-351222-9bfchw4u	231	6	to	to	IN
cord-351222-9bfchw4u	231	7	the	the	DT
cord-351222-9bfchw4u	231	8	more	more	JJR
cord-351222-9bfchw4u	231	9	than	than	IN
cord-351222-9bfchw4u	231	10	250,000	250,000	CD
cord-351222-9bfchw4u	231	11	compounds	compound	NNS
cord-351222-9bfchw4u	231	12	contained	contain	VBN
cord-351222-9bfchw4u	231	13	in	in	IN
cord-351222-9bfchw4u	231	14	this	this	DT
cord-351222-9bfchw4u	231	15	open	open	JJ
cord-351222-9bfchw4u	231	16	database	database	NN
cord-351222-9bfchw4u	231	17	was	be	VBD
cord-351222-9bfchw4u	231	18	provided	provide	VBN
cord-351222-9bfchw4u	231	19	by	by	IN
cord-351222-9bfchw4u	231	20	Poroikov	Poroikov	NNP
cord-351222-9bfchw4u	231	21	and	and	CC
cord-351222-9bfchw4u	231	22	co	co	NNS
cord-351222-9bfchw4u	231	23	-	-	NNS
cord-351222-9bfchw4u	231	24	authors	author	NNS
cord-351222-9bfchw4u	231	25	[	[	-LRB-
cord-351222-9bfchw4u	231	26	76	76	CD
cord-351222-9bfchw4u	231	27	]	]	-RRB-
cord-351222-9bfchw4u	231	28	.	.	.
cord-351222-9bfchw4u	232	1	By	by	IN
cord-351222-9bfchw4u	232	2	use	use	NN
cord-351222-9bfchw4u	232	3	of	of	IN
cord-351222-9bfchw4u	232	4	the	the	DT
cord-351222-9bfchw4u	232	5	program	program	NN
cord-351222-9bfchw4u	232	6	PASS	pass	NN
cord-351222-9bfchw4u	232	7	(	(	-LRB-
cord-351222-9bfchw4u	232	8	Prediction	Prediction	NNP
cord-351222-9bfchw4u	232	9	of	of	IN
cord-351222-9bfchw4u	232	10	Activity	Activity	NNP
cord-351222-9bfchw4u	232	11	Spectra	Spectra	NNP
cord-351222-9bfchw4u	232	12	for	for	IN
cord-351222-9bfchw4u	232	13	Substances	Substances	NNPS
cord-351222-9bfchw4u	232	14	)	)	-RRB-
cord-351222-9bfchw4u	232	15	an	an	DT
cord-351222-9bfchw4u	232	16	in	in	IN
cord-351222-9bfchw4u	232	17	silico	silico	NN
cord-351222-9bfchw4u	232	18	tool	tool	NN
cord-351222-9bfchw4u	232	19	for	for	IN
cord-351222-9bfchw4u	232	20	complex	complex	JJ
cord-351222-9bfchw4u	232	21	searches	search	NNS
cord-351222-9bfchw4u	232	22	of	of	IN
cord-351222-9bfchw4u	232	23	565	565	CD
cord-351222-9bfchw4u	232	24	different	different	JJ
cord-351222-9bfchw4u	232	25	types	type	NNS
cord-351222-9bfchw4u	232	26	of	of	IN
cord-351222-9bfchw4u	232	27	activities	activity	NNS
cord-351222-9bfchw4u	232	28	is	be	VBZ
cord-351222-9bfchw4u	232	29	provided	provide	VBN
cord-351222-9bfchw4u	232	30	;	;	:
cord-351222-9bfchw4u	232	31	e.g.	e.g.	RB
cord-351222-9bfchw4u	232	32	,	,	,
cord-351222-9bfchw4u	232	33	in	in	IN
cord-351222-9bfchw4u	232	34	the	the	DT
cord-351222-9bfchw4u	232	35	case	case	NN
cord-351222-9bfchw4u	232	36	of	of	IN
cord-351222-9bfchw4u	232	37	antineoplastic	antineoplastic	JJ
cord-351222-9bfchw4u	232	38	effects	effect	NNS
cord-351222-9bfchw4u	232	39	,	,	,
cord-351222-9bfchw4u	232	40	the	the	DT
cord-351222-9bfchw4u	232	41	authors	author	NNS
cord-351222-9bfchw4u	232	42	could	could	MD
cord-351222-9bfchw4u	232	43	demonstrate	demonstrate	VB
cord-351222-9bfchw4u	232	44	a	a	DT
cord-351222-9bfchw4u	232	45	substantial	substantial	JJ
cord-351222-9bfchw4u	232	46	dataset	dataset	NN
cord-351222-9bfchw4u	232	47	enrichment	enrichment	NN
cord-351222-9bfchw4u	232	48	over	over	IN
cord-351222-9bfchw4u	232	49	random	random	JJ
cord-351222-9bfchw4u	232	50	selection	selection	NN
cord-351222-9bfchw4u	232	51	by	by	IN
cord-351222-9bfchw4u	232	52	the	the	DT
cord-351222-9bfchw4u	232	53	use	use	NN
cord-351222-9bfchw4u	232	54	of	of	IN
cord-351222-9bfchw4u	232	55	PASS	pass	VB
cord-351222-9bfchw4u	232	56	-	-	HYPH
cord-351222-9bfchw4u	232	57	predicted	predict	VBN
cord-351222-9bfchw4u	232	58	probabilities	probability	NNS
cord-351222-9bfchw4u	232	59	.	.	.
cord-351222-9bfchw4u	233	1	Libraries	library	NNS
cord-351222-9bfchw4u	233	2	covering	cover	VBG
cord-351222-9bfchw4u	233	3	a	a	DT
cord-351222-9bfchw4u	233	4	major	major	JJ
cord-351222-9bfchw4u	233	5	part	part	NN
cord-351222-9bfchw4u	233	6	of	of	IN
cord-351222-9bfchw4u	233	7	entities	entity	NNS
cord-351222-9bfchw4u	233	8	from	from	IN
cord-351222-9bfchw4u	233	9	nature	nature	NN
cord-351222-9bfchw4u	233	10	(	(	-LRB-
cord-351222-9bfchw4u	233	11	at	at	IN
cord-351222-9bfchw4u	233	12	least	least	JJS
cord-351222-9bfchw4u	233	13	some	some	DT
cord-351222-9bfchw4u	233	14	thousands	thousand	NNS
cord-351222-9bfchw4u	233	15	)	)	-RRB-
cord-351222-9bfchw4u	233	16	or	or	CC
cord-351222-9bfchw4u	233	17	consisting	consist	VBG
cord-351222-9bfchw4u	233	18	of	of	IN
cord-351222-9bfchw4u	233	19	structural	structural	JJ
cord-351222-9bfchw4u	233	20	information	information	NN
cord-351222-9bfchw4u	233	21	exclusively	exclusively	RB
cord-351222-9bfchw4u	233	22	from	from	IN
cord-351222-9bfchw4u	233	23	natural	natural	JJ
cord-351222-9bfchw4u	233	24	origin	origin	NN
cord-351222-9bfchw4u	233	25	are	be	VBP
cord-351222-9bfchw4u	233	26	not	not	RB
cord-351222-9bfchw4u	233	27	free	free	JJ
cord-351222-9bfchw4u	233	28	of	of	IN
cord-351222-9bfchw4u	233	29	charge	charge	NN
cord-351222-9bfchw4u	233	30	,	,	,
cord-351222-9bfchw4u	233	31	e.g.	e.g.	RB
cord-351222-9bfchw4u	233	32	,	,	,
cord-351222-9bfchw4u	233	33	the	the	DT
cord-351222-9bfchw4u	233	34	Traditional	Traditional	NNP
cord-351222-9bfchw4u	233	35	Chinese	Chinese	NNP
cord-351222-9bfchw4u	233	36	Medicinal	Medicinal	NNP
cord-351222-9bfchw4u	233	37	Database	database	NN
cord-351222-9bfchw4u	233	38	(	(	-LRB-
cord-351222-9bfchw4u	233	39	TCMD	tcmd	NN
cord-351222-9bfchw4u	233	40	;	;	,
cord-351222-9bfchw4u	233	41	http://tcm3d.com/services.htm	http://tcm3d.com/services.htm	ADD
cord-351222-9bfchw4u	233	42	[	[	-LRB-
cord-351222-9bfchw4u	233	43	77	77	CD
cord-351222-9bfchw4u	233	44	]	]	-RRB-
cord-351222-9bfchw4u	233	45	)	)	-RRB-
cord-351222-9bfchw4u	233	46	or	or	CC
cord-351222-9bfchw4u	233	47	the	the	DT
cord-351222-9bfchw4u	233	48	Dictionary	Dictionary	NNP
cord-351222-9bfchw4u	233	49	of	of	IN
cord-351222-9bfchw4u	233	50	Natural	Natural	NNP
cord-351222-9bfchw4u	233	51	Product	Product	NNP
cord-351222-9bfchw4u	233	52	Database	Database	NNP
cord-351222-9bfchw4u	233	53	launched	launch	VBN
cord-351222-9bfchw4u	233	54	by	by	IN
cord-351222-9bfchw4u	233	55	Chapman	Chapman	NNP
cord-351222-9bfchw4u	233	56	&	&	CC
cord-351222-9bfchw4u	233	57	Hall	Hall	NNP
cord-351222-9bfchw4u	233	58	(	(	-LRB-
cord-351222-9bfchw4u	233	59	DNP	DNP	NNP
cord-351222-9bfchw4u	233	60	;	;	:
cord-351222-9bfchw4u	233	61	http://	http://	NNP
cord-351222-9bfchw4u	233	62	www.chemnetbase.com	www.chemnetbase.com	ADD
cord-351222-9bfchw4u	233	63	)	)	-RRB-
cord-351222-9bfchw4u	233	64	providing	provide	VBG
cord-351222-9bfchw4u	233	65	chemical	chemical	NN
cord-351222-9bfchw4u	233	66	and	and	CC
cord-351222-9bfchw4u	233	67	physical	physical	JJ
cord-351222-9bfchw4u	233	68	data	datum	NNS
cord-351222-9bfchw4u	233	69	on	on	IN
cord-351222-9bfchw4u	233	70	some	some	DT
cord-351222-9bfchw4u	233	71	200,000	200,000	CD
cord-351222-9bfchw4u	233	72	natural	natural	JJ
cord-351222-9bfchw4u	233	73	compounds	compound	NNS
cord-351222-9bfchw4u	233	74	gathered	gather	VBN
cord-351222-9bfchw4u	233	75	from	from	IN
cord-351222-9bfchw4u	233	76	the	the	DT
cord-351222-9bfchw4u	233	77	world	world	NN
cord-351222-9bfchw4u	233	78	's	's	POS
cord-351222-9bfchw4u	233	79	chemical	chemical	NN
cord-351222-9bfchw4u	233	80	literature	literature	NN
cord-351222-9bfchw4u	233	81	.	.	.
cord-351222-9bfchw4u	234	1	An	an	DT
cord-351222-9bfchw4u	234	2	excellent	excellent	JJ
cord-351222-9bfchw4u	234	3	survey	survey	NN
cord-351222-9bfchw4u	234	4	of	of	IN
cord-351222-9bfchw4u	234	5	public	public	JJ
cord-351222-9bfchw4u	234	6	and	and	CC
cord-351222-9bfchw4u	234	7	commercial	commercial	JJ
cord-351222-9bfchw4u	234	8	databases	database	NNS
cord-351222-9bfchw4u	234	9	focusing	focus	VBG
cord-351222-9bfchw4u	234	10	on	on	IN
cord-351222-9bfchw4u	234	11	NPs	NPs	NNPS
cord-351222-9bfchw4u	234	12	has	have	VBZ
cord-351222-9bfchw4u	234	13	recently	recently	RB
cord-351222-9bfchw4u	234	14	been	be	VBN
cord-351222-9bfchw4u	234	15	published	publish	VBN
cord-351222-9bfchw4u	234	16	by	by	IN
cord-351222-9bfchw4u	234	17	Füllbeck	Füllbeck	NNP
cord-351222-9bfchw4u	234	18	and	and	CC
cord-351222-9bfchw4u	234	19	co	co	NNS
cord-351222-9bfchw4u	234	20	-	-	NNS
cord-351222-9bfchw4u	234	21	authors	author	NNS
cord-351222-9bfchw4u	234	22	[	[	-LRB-
cord-351222-9bfchw4u	234	23	78	78	CD
cord-351222-9bfchw4u	234	24	]	]	-RRB-
cord-351222-9bfchw4u	234	25	.	.	.
cord-351222-9bfchw4u	235	1	The	the	DT
cord-351222-9bfchw4u	235	2	authors	author	NNS
cord-351222-9bfchw4u	235	3	provide	provide	VBP
cord-351222-9bfchw4u	235	4	information	information	NN
cord-351222-9bfchw4u	235	5	as	as	IN
cord-351222-9bfchw4u	235	6	to	to	IN
cord-351222-9bfchw4u	235	7	storing	store	VBG
cord-351222-9bfchw4u	235	8	characteristics	characteristic	NNS
cord-351222-9bfchw4u	235	9	of	of	IN
cord-351222-9bfchw4u	235	10	the	the	DT
cord-351222-9bfchw4u	235	11	databases	database	NNS
cord-351222-9bfchw4u	235	12	,	,	,
cord-351222-9bfchw4u	235	13	web	web	NN
cord-351222-9bfchw4u	235	14	-	-	HYPH
cord-351222-9bfchw4u	235	15	addresses	address	NNS
cord-351222-9bfchw4u	235	16	,	,	,
cord-351222-9bfchw4u	235	17	total	total	JJ
cord-351222-9bfchw4u	235	18	number	number	NN
cord-351222-9bfchw4u	235	19	of	of	IN
cord-351222-9bfchw4u	235	20	compounds	compound	NNS
cord-351222-9bfchw4u	235	21	and	and	CC
cord-351222-9bfchw4u	236	1	-if	-if	NFP
cord-351222-9bfchw4u	237	1	given	give	VBN
cord-351222-9bfchw4u	237	2	-number	-number	NN
cord-351222-9bfchw4u	237	3	of	of	IN
cord-351222-9bfchw4u	237	4	natural	natural	JJ
cord-351222-9bfchw4u	237	5	ones	one	NNS
cord-351222-9bfchw4u	237	6	.	.	.
cord-351222-9bfchw4u	238	1	In	in	IN
cord-351222-9bfchw4u	238	2	addition	addition	NN
cord-351222-9bfchw4u	238	3	,	,	,
cord-351222-9bfchw4u	238	4	a	a	DT
cord-351222-9bfchw4u	238	5	selection	selection	NN
cord-351222-9bfchw4u	238	6	of	of	IN
cord-351222-9bfchw4u	238	7	suppliers	supplier	NNS
cord-351222-9bfchw4u	238	8	and	and	CC
cord-351222-9bfchw4u	238	9	manufacturers	manufacturer	NNS
cord-351222-9bfchw4u	238	10	of	of	IN
cord-351222-9bfchw4u	238	11	natural	natural	JJ
cord-351222-9bfchw4u	238	12	compounds	compound	NNS
cord-351222-9bfchw4u	238	13	and	and	CC
cord-351222-9bfchw4u	238	14	extracts	extract	NNS
cord-351222-9bfchw4u	238	15	are	be	VBP
cord-351222-9bfchw4u	238	16	given	give	VBN
cord-351222-9bfchw4u	238	17	.	.	.
cord-351222-9bfchw4u	239	1	A	a	DT
cord-351222-9bfchw4u	239	2	new	new	JJ
cord-351222-9bfchw4u	239	3	database	database	NN
cord-351222-9bfchw4u	239	4	is	be	VBZ
cord-351222-9bfchw4u	239	5	introduced	introduce	VBN
cord-351222-9bfchw4u	239	6	by	by	IN
cord-351222-9bfchw4u	239	7	the	the	DT
cord-351222-9bfchw4u	239	8	authors	author	NNS
cord-351222-9bfchw4u	239	9	(	(	-LRB-
cord-351222-9bfchw4u	239	10	Super	Super	NNP
cord-351222-9bfchw4u	239	11	Natural	Natural	NNP
cord-351222-9bfchw4u	239	12	Database	Database	NNP
cord-351222-9bfchw4u	239	13	[	[	-LRB-
cord-351222-9bfchw4u	239	14	79	79	CD
cord-351222-9bfchw4u	239	15	]	]	-RRB-
cord-351222-9bfchw4u	239	16	)	)	-RRB-
cord-351222-9bfchw4u	239	17	storing	store	VBG
cord-351222-9bfchw4u	239	18	information	information	NN
cord-351222-9bfchw4u	239	19	on	on	IN
cord-351222-9bfchw4u	239	20	available	available	JJ
cord-351222-9bfchw4u	239	21	NPs	NPs	NNPS
cord-351222-9bfchw4u	239	22	,	,	,
cord-351222-9bfchw4u	239	23	thus	thus	RB
cord-351222-9bfchw4u	239	24	allowing	allow	VBG
cord-351222-9bfchw4u	239	25	the	the	DT
cord-351222-9bfchw4u	239	26	selection	selection	NN
cord-351222-9bfchw4u	239	27	of	of	IN
cord-351222-9bfchw4u	239	28	compounds	compound	NNS
cord-351222-9bfchw4u	239	29	that	that	WDT
cord-351222-9bfchw4u	239	30	can	can	MD
cord-351222-9bfchw4u	239	31	be	be	VB
cord-351222-9bfchw4u	239	32	purchased	purchase	VBN
cord-351222-9bfchw4u	239	33	.	.	.
cord-351222-9bfchw4u	240	1	Moreover	moreover	RB
cord-351222-9bfchw4u	240	2	a	a	DT
cord-351222-9bfchw4u	240	3	number	number	NN
cord-351222-9bfchw4u	240	4	of	of	IN
cord-351222-9bfchw4u	240	5	non	non	JJ
cord-351222-9bfchw4u	240	6	-	-	JJ
cord-351222-9bfchw4u	240	7	commercial	commercial	JJ
cord-351222-9bfchw4u	240	8	in	in	IN
cord-351222-9bfchw4u	240	9	-	-	HYPH
cord-351222-9bfchw4u	240	10	house	house	NN
cord-351222-9bfchw4u	240	11	created	create	VBN
cord-351222-9bfchw4u	240	12	databases	database	NNS
cord-351222-9bfchw4u	240	13	have	have	VBP
cord-351222-9bfchw4u	240	14	been	be	VBN
cord-351222-9bfchw4u	240	15	used	use	VBN
cord-351222-9bfchw4u	240	16	from	from	IN
cord-351222-9bfchw4u	240	17	different	different	JJ
cord-351222-9bfchw4u	240	18	groups	group	NNS
cord-351222-9bfchw4u	240	19	for	for	IN
cord-351222-9bfchw4u	240	20	their	-PRON-	PRP$
cord-351222-9bfchw4u	240	21	virtual	virtual	JJ
cord-351222-9bfchw4u	240	22	screening	screening	NN
cord-351222-9bfchw4u	240	23	studies	study	NNS
cord-351222-9bfchw4u	240	24	on	on	IN
cord-351222-9bfchw4u	240	25	NPs	NPs	NNP
cord-351222-9bfchw4u	240	26	,	,	,
cord-351222-9bfchw4u	240	27	e.g.	e.g.	RB
cord-351222-9bfchw4u	240	28	,	,	,
cord-351222-9bfchw4u	240	29	a	a	DT
cord-351222-9bfchw4u	240	30	marine	marine	JJ
cord-351222-9bfchw4u	240	31	natural	natural	JJ
cord-351222-9bfchw4u	240	32	product	product	NN
cord-351222-9bfchw4u	240	33	database	database	NN
cord-351222-9bfchw4u	240	34	(	(	-LRB-
cord-351222-9bfchw4u	240	35	MNDP	MNDP	NNP
cord-351222-9bfchw4u	240	36	[	[	-LRB-
cord-351222-9bfchw4u	240	37	80	80	CD
cord-351222-9bfchw4u	240	38	]	]	-RRB-
cord-351222-9bfchw4u	240	39	)	)	-RRB-
cord-351222-9bfchw4u	240	40	,	,	,
cord-351222-9bfchw4u	240	41	a	a	DT
cord-351222-9bfchw4u	240	42	natural	natural	JJ
cord-351222-9bfchw4u	240	43	product	product	NN
cord-351222-9bfchw4u	240	44	database	database	NN
cord-351222-9bfchw4u	240	45	(	(	-LRB-
cord-351222-9bfchw4u	240	46	NPD	NPD	NNP
cord-351222-9bfchw4u	240	47	[	[	-LRB-
cord-351222-9bfchw4u	240	48	61	61	CD
cord-351222-9bfchw4u	240	49	,	,	,
cord-351222-9bfchw4u	240	50	81	81	CD
cord-351222-9bfchw4u	240	51	]	]	-RRB-
cord-351222-9bfchw4u	240	52	)	)	-RRB-
cord-351222-9bfchw4u	240	53	,	,	,
cord-351222-9bfchw4u	240	54	a	a	DT
cord-351222-9bfchw4u	240	55	database	database	NN
cord-351222-9bfchw4u	240	56	based	base	VBN
cord-351222-9bfchw4u	240	57	on	on	IN
cord-351222-9bfchw4u	240	58	the	the	DT
cord-351222-9bfchw4u	240	59	antique	antique	JJ
cord-351222-9bfchw4u	240	60	source	source	NN
cord-351222-9bfchw4u	240	61	'	'	``
cord-351222-9bfchw4u	240	62	de	de	FW
cord-351222-9bfchw4u	240	63	materia	materia	FW
cord-351222-9bfchw4u	240	64	medica	medica	FW
cord-351222-9bfchw4u	240	65	'	'	''
cord-351222-9bfchw4u	240	66	by	by	IN
cord-351222-9bfchw4u	240	67	Pedanius	Pedanius	NNP
cord-351222-9bfchw4u	240	68	Dioscurides	Dioscurides	NNP
cord-351222-9bfchw4u	240	69	(	(	-LRB-
cord-351222-9bfchw4u	240	70	DIOS	DIOS	NNP
cord-351222-9bfchw4u	240	71	[	[	-LRB-
cord-351222-9bfchw4u	240	72	81	81	CD
cord-351222-9bfchw4u	240	73	]	]	-RRB-
cord-351222-9bfchw4u	240	74	)	)	-RRB-
cord-351222-9bfchw4u	240	75	,	,	,
cord-351222-9bfchw4u	240	76	or	or	CC
cord-351222-9bfchw4u	240	77	a	a	DT
cord-351222-9bfchw4u	240	78	database	database	NN
cord-351222-9bfchw4u	240	79	fed	feed	VBN
cord-351222-9bfchw4u	240	80	with	with	IN
cord-351222-9bfchw4u	240	81	metabolites	metabolite	NNS
cord-351222-9bfchw4u	240	82	of	of	IN
cord-351222-9bfchw4u	240	83	ethnopharmacologically	ethnopharmacologically	RB
cord-351222-9bfchw4u	240	84	known	know	VBN
cord-351222-9bfchw4u	240	85	plants	plant	NNS
cord-351222-9bfchw4u	240	86	[	[	-LRB-
cord-351222-9bfchw4u	240	87	82	82	CD
cord-351222-9bfchw4u	240	88	]	]	-RRB-
cord-351222-9bfchw4u	240	89	.	.	.
cord-351222-9bfchw4u	241	1	Recently	recently	RB
cord-351222-9bfchw4u	241	2	,	,	,
cord-351222-9bfchw4u	241	3	Ehrman	Ehrman	NNP
cord-351222-9bfchw4u	241	4	and	and	CC
cord-351222-9bfchw4u	241	5	co	co	NNS
cord-351222-9bfchw4u	241	6	-	-	NNS
cord-351222-9bfchw4u	241	7	authors	author	NNS
cord-351222-9bfchw4u	241	8	generated	generate	VBD
cord-351222-9bfchw4u	241	9	a	a	DT
cord-351222-9bfchw4u	241	10	3D	3d	JJ
cord-351222-9bfchw4u	241	11	multiconformational	multiconformational	JJ
cord-351222-9bfchw4u	241	12	database	database	NN
cord-351222-9bfchw4u	241	13	of	of	IN
cord-351222-9bfchw4u	241	14	Chinese	chinese	JJ
cord-351222-9bfchw4u	241	15	herbal	herbal	JJ
cord-351222-9bfchw4u	241	16	constituents	constituent	NNS
cord-351222-9bfchw4u	241	17	containing	contain	VBG
cord-351222-9bfchw4u	241	18	a	a	DT
cord-351222-9bfchw4u	241	19	total	total	NN
cord-351222-9bfchw4u	241	20	of	of	IN
cord-351222-9bfchw4u	241	21	more	more	JJR
cord-351222-9bfchw4u	241	22	than	than	IN
cord-351222-9bfchw4u	241	23	8,000	8,000	CD
cord-351222-9bfchw4u	241	24	compounds	compound	NNS
cord-351222-9bfchw4u	241	25	from	from	IN
cord-351222-9bfchw4u	241	26	230	230	CD
cord-351222-9bfchw4u	241	27	Chinese	chinese	JJ
cord-351222-9bfchw4u	241	28	herbs	herb	NNS
cord-351222-9bfchw4u	241	29	[	[	-LRB-
cord-351222-9bfchw4u	241	30	83	83	CD
cord-351222-9bfchw4u	241	31	]	]	-RRB-
cord-351222-9bfchw4u	241	32	.	.	.
cord-351222-9bfchw4u	242	1	10	10	CD
cord-351222-9bfchw4u	242	2	Integrated	integrate	VBN
cord-351222-9bfchw4u	242	3	strategies	strategy	NNS
cord-351222-9bfchw4u	242	4	for	for	IN
cord-351222-9bfchw4u	242	5	the	the	DT
cord-351222-9bfchw4u	242	6	discovery	discovery	NN
cord-351222-9bfchw4u	242	7	of	of	IN
cord-351222-9bfchw4u	242	8	bioactive	bioactive	JJ
cord-351222-9bfchw4u	242	9	NPs	NPs	NNPS
cord-351222-9bfchw4u	243	1	The	the	DT
cord-351222-9bfchw4u	243	2	more	more	RBR
cord-351222-9bfchw4u	243	3	or	or	CC
cord-351222-9bfchw4u	243	4	less	less	RBR
cord-351222-9bfchw4u	243	5	accurate	accurate	JJ
cord-351222-9bfchw4u	243	6	prediction	prediction	NN
cord-351222-9bfchw4u	243	7	of	of	IN
cord-351222-9bfchw4u	243	8	potentially	potentially	RB
cord-351222-9bfchw4u	243	9	active	active	JJ
cord-351222-9bfchw4u	243	10	compounds	compound	NNS
cord-351222-9bfchw4u	243	11	by	by	IN
cord-351222-9bfchw4u	243	12	virtual	virtual	JJ
cord-351222-9bfchw4u	243	13	screening	screening	NN
cord-351222-9bfchw4u	243	14	has	have	VBZ
cord-351222-9bfchw4u	243	15	doubtlessly	doubtlessly	RB
cord-351222-9bfchw4u	243	16	rationalized	rationalize	VBN
cord-351222-9bfchw4u	243	17	the	the	DT
cord-351222-9bfchw4u	243	18	early	early	JJ
cord-351222-9bfchw4u	243	19	drug	drug	NN
cord-351222-9bfchw4u	243	20	discovery	discovery	NN
cord-351222-9bfchw4u	243	21	process	process	NN
cord-351222-9bfchw4u	243	22	.	.	.
cord-351222-9bfchw4u	244	1	These	these	DT
cord-351222-9bfchw4u	244	2	filtering	filter	VBG
cord-351222-9bfchw4u	244	3	experiments	experiment	NNS
cord-351222-9bfchw4u	244	4	definitely	definitely	RB
cord-351222-9bfchw4u	244	5	assist	assist	VBP
cord-351222-9bfchw4u	244	6	in	in	IN
cord-351222-9bfchw4u	244	7	saving	save	VBG
cord-351222-9bfchw4u	244	8	costly	costly	JJ
cord-351222-9bfchw4u	244	9	and	and	CC
cord-351222-9bfchw4u	244	10	time	time	NN
cord-351222-9bfchw4u	244	11	-	-	HYPH
cord-351222-9bfchw4u	244	12	intensive	intensive	JJ
cord-351222-9bfchw4u	244	13	pharmacological	pharmacological	JJ
cord-351222-9bfchw4u	244	14	assays	assay	NNS
cord-351222-9bfchw4u	244	15	,	,	,
cord-351222-9bfchw4u	244	16	since	since	IN
cord-351222-9bfchw4u	244	17	the	the	DT
cord-351222-9bfchw4u	244	18	pool	pool	NN
cord-351222-9bfchw4u	244	19	of	of	IN
cord-351222-9bfchw4u	244	20	predicted	predict	VBN
cord-351222-9bfchw4u	244	21	ligands	ligand	NNS
cord-351222-9bfchw4u	244	22	(	(	-LRB-
cord-351222-9bfchw4u	244	23	i.e.	i.e.	FW
cord-351222-9bfchw4u	244	24	,	,	,
cord-351222-9bfchw4u	244	25	virtual	virtual	JJ
cord-351222-9bfchw4u	244	26	hits	hit	NNS
cord-351222-9bfchw4u	244	27	)	)	-RRB-
cord-351222-9bfchw4u	244	28	is	be	VBZ
cord-351222-9bfchw4u	244	29	usually	usually	RB
cord-351222-9bfchw4u	244	30	drastically	drastically	RB
cord-351222-9bfchw4u	244	31	reduced	reduce	VBN
cord-351222-9bfchw4u	244	32	compared	compare	VBN
cord-351222-9bfchw4u	244	33	to	to	IN
cord-351222-9bfchw4u	244	34	the	the	DT
cord-351222-9bfchw4u	244	35	initial	initial	JJ
cord-351222-9bfchw4u	244	36	amount	amount	NN
cord-351222-9bfchw4u	244	37	of	of	IN
cord-351222-9bfchw4u	244	38	compounds	compound	NNS
cord-351222-9bfchw4u	244	39	(	(	-LRB-
cord-351222-9bfchw4u	244	40	i.e.	i.e.	FW
cord-351222-9bfchw4u	244	41	,	,	,
cord-351222-9bfchw4u	244	42	3D	3d	JJ
cord-351222-9bfchw4u	244	43	-	-	HYPH
cord-351222-9bfchw4u	244	44	database	database	NN
cord-351222-9bfchw4u	244	45	)	)	-RRB-
cord-351222-9bfchw4u	244	46	.	.	.
cord-351222-9bfchw4u	245	1	Demands	demand	NNS
cord-351222-9bfchw4u	245	2	to	to	TO
cord-351222-9bfchw4u	245	3	be	be	VB
cord-351222-9bfchw4u	245	4	made	make	VBN
cord-351222-9bfchw4u	245	5	on	on	IN
cord-351222-9bfchw4u	245	6	a	a	DT
cord-351222-9bfchw4u	245	7	good	good	JJ
cord-351222-9bfchw4u	245	8	model	model	NN
cord-351222-9bfchw4u	245	9	are	be	VBP
cord-351222-9bfchw4u	245	10	selectivity	selectivity	NN
cord-351222-9bfchw4u	245	11	and	and	CC
cord-351222-9bfchw4u	245	12	target	target	NN
cord-351222-9bfchw4u	245	13	-	-	HYPH
cord-351222-9bfchw4u	245	14	specificity	specificity	NN
cord-351222-9bfchw4u	245	15	on	on	IN
cord-351222-9bfchw4u	245	16	the	the	DT
cord-351222-9bfchw4u	245	17	one	one	CD
cord-351222-9bfchw4u	245	18	hand	hand	NN
cord-351222-9bfchw4u	245	19	,	,	,
cord-351222-9bfchw4u	245	20	but	but	CC
cord-351222-9bfchw4u	245	21	it	-PRON-	PRP
cord-351222-9bfchw4u	245	22	is	be	VBZ
cord-351222-9bfchw4u	245	23	also	also	RB
cord-351222-9bfchw4u	245	24	seminal	seminal	JJ
cord-351222-9bfchw4u	245	25	not	not	RB
cord-351222-9bfchw4u	245	26	to	to	TO
cord-351222-9bfchw4u	245	27	lose	lose	VB
cord-351222-9bfchw4u	245	28	too	too	RB
cord-351222-9bfchw4u	245	29	many	many	JJ
cord-351222-9bfchw4u	245	30	valuable	valuable	JJ
cord-351222-9bfchw4u	245	31	ligands	ligand	NNS
cord-351222-9bfchw4u	245	32	during	during	IN
cord-351222-9bfchw4u	245	33	the	the	DT
cord-351222-9bfchw4u	245	34	filtering	filtering	NN
cord-351222-9bfchw4u	245	35	process	process	NN
cord-351222-9bfchw4u	245	36	.	.	.
cord-351222-9bfchw4u	246	1	How	how	WRB
cord-351222-9bfchw4u	246	2	far	far	RB
cord-351222-9bfchw4u	246	3	all	all	DT
cord-351222-9bfchw4u	246	4	of	of	IN
cord-351222-9bfchw4u	246	5	these	these	DT
cord-351222-9bfchw4u	246	6	demands	demand	NNS
cord-351222-9bfchw4u	246	7	can	can	MD
cord-351222-9bfchw4u	246	8	be	be	VB
cord-351222-9bfchw4u	246	9	fulfilled	fulfil	VBN
cord-351222-9bfchw4u	246	10	strongly	strongly	RB
cord-351222-9bfchw4u	246	11	depends	depend	VBZ
cord-351222-9bfchw4u	246	12	on	on	IN
cord-351222-9bfchw4u	246	13	the	the	DT
cord-351222-9bfchw4u	246	14	quality	quality	NN
cord-351222-9bfchw4u	246	15	of	of	IN
cord-351222-9bfchw4u	246	16	information	information	NN
cord-351222-9bfchw4u	246	17	used	use	VBN
cord-351222-9bfchw4u	246	18	as	as	IN
cord-351222-9bfchw4u	246	19	the	the	DT
cord-351222-9bfchw4u	246	20	basis	basis	NN
cord-351222-9bfchw4u	246	21	for	for	IN
cord-351222-9bfchw4u	246	22	generating	generate	VBG
cord-351222-9bfchw4u	246	23	the	the	DT
cord-351222-9bfchw4u	246	24	model	model	NN
cord-351222-9bfchw4u	246	25	and	and	CC
cord-351222-9bfchw4u	246	26	the	the	DT
cord-351222-9bfchw4u	246	27	algorithm	algorithm	NN
cord-351222-9bfchw4u	246	28	underlying	underlie	VBG
cord-351222-9bfchw4u	246	29	the	the	DT
cord-351222-9bfchw4u	246	30	virtual	virtual	JJ
cord-351222-9bfchw4u	246	31	screening	screening	NN
cord-351222-9bfchw4u	246	32	process	process	NN
cord-351222-9bfchw4u	246	33	.	.	.
cord-351222-9bfchw4u	247	1	In	in	IN
cord-351222-9bfchw4u	247	2	medicinal	medicinal	JJ
cord-351222-9bfchw4u	247	3	chemistry	chemistry	NN
cord-351222-9bfchw4u	247	4	,	,	,
cord-351222-9bfchw4u	247	5	an	an	DT
cord-351222-9bfchw4u	247	6	activity	activity	NN
cord-351222-9bfchw4u	247	7	prediction	prediction	NN
cord-351222-9bfchw4u	247	8	of	of	IN
cord-351222-9bfchw4u	247	9	10	10	CD
cord-351222-9bfchw4u	247	10	-	-	SYM
cord-351222-9bfchw4u	247	11	30	30	CD
cord-351222-9bfchw4u	247	12	%	%	NN
cord-351222-9bfchw4u	247	13	is	be	VBZ
cord-351222-9bfchw4u	247	14	usually	usually	RB
cord-351222-9bfchw4u	247	15	regarded	regard	VBN
cord-351222-9bfchw4u	247	16	as	as	IN
cord-351222-9bfchw4u	247	17	satisfying	satisfy	VBG
cord-351222-9bfchw4u	247	18	enrichment	enrichment	NN
cord-351222-9bfchw4u	247	19	.	.	.
cord-351222-9bfchw4u	248	1	In	in	IN
cord-351222-9bfchw4u	248	2	NP	NP	NNP
cord-351222-9bfchw4u	248	3	research	research	NN
cord-351222-9bfchw4u	248	4	,	,	,
cord-351222-9bfchw4u	248	5	however	however	RB
cord-351222-9bfchw4u	248	6	,	,	,
cord-351222-9bfchw4u	248	7	this	this	DT
cord-351222-9bfchw4u	248	8	percentage	percentage	NN
cord-351222-9bfchw4u	248	9	may	may	MD
cord-351222-9bfchw4u	248	10	be	be	VB
cord-351222-9bfchw4u	248	11	too	too	RB
cord-351222-9bfchw4u	248	12	scarce	scarce	JJ
cord-351222-9bfchw4u	248	13	.	.	.
cord-351222-9bfchw4u	249	1	It	-PRON-	PRP
cord-351222-9bfchw4u	249	2	is	be	VBZ
cord-351222-9bfchw4u	249	3	rarely	rarely	RB
cord-351222-9bfchw4u	249	4	found	find	VBN
cord-351222-9bfchw4u	249	5	that	that	IN
cord-351222-9bfchw4u	249	6	a	a	DT
cord-351222-9bfchw4u	249	7	large	large	JJ
cord-351222-9bfchw4u	249	8	set	set	NN
cord-351222-9bfchw4u	249	9	of	of	IN
cord-351222-9bfchw4u	249	10	natural	natural	JJ
cord-351222-9bfchw4u	249	11	compounds	compound	NNS
cord-351222-9bfchw4u	249	12	can	can	MD
cord-351222-9bfchw4u	249	13	be	be	VB
cord-351222-9bfchw4u	249	14	acquired	acquire	VBN
cord-351222-9bfchw4u	249	15	so	so	RB
cord-351222-9bfchw4u	249	16	easily	easily	RB
cord-351222-9bfchw4u	249	17	.	.	.
cord-351222-9bfchw4u	250	1	Only	only	RB
cord-351222-9bfchw4u	250	2	a	a	DT
cord-351222-9bfchw4u	250	3	minority	minority	NN
cord-351222-9bfchw4u	250	4	of	of	IN
cord-351222-9bfchw4u	250	5	secondary	secondary	JJ
cord-351222-9bfchw4u	250	6	metabolites	metabolite	NNS
cord-351222-9bfchw4u	250	7	are	be	VBP
cord-351222-9bfchw4u	250	8	commercially	commercially	RB
cord-351222-9bfchw4u	250	9	available	available	JJ
cord-351222-9bfchw4u	250	10	-usually	-usually	RB
cord-351222-9bfchw4u	250	11	at	at	IN
cord-351222-9bfchw4u	250	12	incredibly	incredibly	RB
cord-351222-9bfchw4u	250	13	high	high	JJ
cord-351222-9bfchw4u	250	14	prices	price	NNS
cord-351222-9bfchw4u	250	15	.	.	.
cord-351222-9bfchw4u	251	1	Thus	thus	RB
cord-351222-9bfchw4u	251	2	,	,	,
cord-351222-9bfchw4u	251	3	extraordinary	extraordinary	JJ
cord-351222-9bfchw4u	251	4	charges	charge	NNS
cord-351222-9bfchw4u	251	5	and	and	CC
cord-351222-9bfchw4u	251	6	efforts	effort	NNS
cord-351222-9bfchw4u	251	7	are	be	VBP
cord-351222-9bfchw4u	251	8	typically	typically	RB
cord-351222-9bfchw4u	251	9	necessary	necessary	JJ
cord-351222-9bfchw4u	251	10	before	before	IN
cord-351222-9bfchw4u	251	11	a	a	DT
cord-351222-9bfchw4u	251	12	virtual	virtual	JJ
cord-351222-9bfchw4u	251	13	hit	hit	NN
cord-351222-9bfchw4u	251	14	from	from	IN
cord-351222-9bfchw4u	251	15	nature	nature	NN
cord-351222-9bfchw4u	251	16	is	be	VBZ
cord-351222-9bfchw4u	251	17	available	available	JJ
cord-351222-9bfchw4u	251	18	for	for	IN
cord-351222-9bfchw4u	251	19	pharmacological	pharmacological	JJ
cord-351222-9bfchw4u	251	20	testing	testing	NN
cord-351222-9bfchw4u	251	21	.	.	.
cord-351222-9bfchw4u	252	1	This	this	DT
cord-351222-9bfchw4u	252	2	process	process	NN
cord-351222-9bfchw4u	252	3	embraces	embrace	VBZ
cord-351222-9bfchw4u	252	4	the	the	DT
cord-351222-9bfchw4u	252	5	acquisition	acquisition	NN
cord-351222-9bfchw4u	252	6	of	of	IN
cord-351222-9bfchw4u	252	7	the	the	DT
cord-351222-9bfchw4u	252	8	natural	natural	JJ
cord-351222-9bfchw4u	252	9	material	material	NN
cord-351222-9bfchw4u	252	10	described	describe	VBN
cord-351222-9bfchw4u	252	11	to	to	TO
cord-351222-9bfchw4u	252	12	contain	contain	VB
cord-351222-9bfchw4u	252	13	the	the	DT
cord-351222-9bfchw4u	252	14	desired	desire	VBN
cord-351222-9bfchw4u	252	15	metabolite	metabolite	NN
cord-351222-9bfchw4u	252	16	to	to	IN
cord-351222-9bfchw4u	252	17	the	the	DT
cord-351222-9bfchw4u	252	18	point	point	NN
cord-351222-9bfchw4u	252	19	of	of	IN
cord-351222-9bfchw4u	252	20	phytochemical	phytochemical	JJ
cord-351222-9bfchw4u	252	21	analysis	analysis	NN
cord-351222-9bfchw4u	252	22	and	and	CC
cord-351222-9bfchw4u	252	23	isolation	isolation	NN
cord-351222-9bfchw4u	252	24	.	.	.
cord-351222-9bfchw4u	253	1	Though	though	IN
cord-351222-9bfchw4u	253	2	advanced	advanced	JJ
cord-351222-9bfchw4u	253	3	separation	separation	NN
cord-351222-9bfchw4u	253	4	techniques	technique	NNS
cord-351222-9bfchw4u	253	5	,	,	,
cord-351222-9bfchw4u	253	6	analytical	analytical	JJ
cord-351222-9bfchw4u	253	7	instrumentation	instrumentation	NN
cord-351222-9bfchw4u	253	8	,	,	,
cord-351222-9bfchw4u	253	9	and	and	CC
cord-351222-9bfchw4u	253	10	innovative	innovative	JJ
cord-351222-9bfchw4u	253	11	tools	tool	NNS
cord-351222-9bfchw4u	253	12	for	for	IN
cord-351222-9bfchw4u	253	13	structure	structure	NN
cord-351222-9bfchw4u	253	14	identification	identification	NN
cord-351222-9bfchw4u	253	15	are	be	VBP
cord-351222-9bfchw4u	253	16	at	at	IN
cord-351222-9bfchw4u	253	17	the	the	DT
cord-351222-9bfchw4u	253	18	phytochemists	phytochemist	NNS
cord-351222-9bfchw4u	253	19	'	'	POS
cord-351222-9bfchw4u	253	20	disposal	disposal	NN
cord-351222-9bfchw4u	253	21	,	,	,
cord-351222-9bfchw4u	253	22	it	-PRON-	PRP
cord-351222-9bfchw4u	253	23	remains	remain	VBZ
cord-351222-9bfchw4u	253	24	a	a	DT
cord-351222-9bfchw4u	253	25	complex	complex	JJ
cord-351222-9bfchw4u	253	26	and	and	CC
cord-351222-9bfchw4u	253	27	sometimes	sometimes	RB
cord-351222-9bfchw4u	253	28	uncertain	uncertain	JJ
cord-351222-9bfchw4u	253	29	endeavor	endeavor	NN
cord-351222-9bfchw4u	253	30	.	.	.
cord-351222-9bfchw4u	254	1	This	this	DT
cord-351222-9bfchw4u	254	2	is	be	VBZ
cord-351222-9bfchw4u	254	3	why	why	WRB
cord-351222-9bfchw4u	254	4	the	the	DT
cord-351222-9bfchw4u	254	5	results	result	NNS
cord-351222-9bfchw4u	254	6	obtained	obtain	VBN
cord-351222-9bfchw4u	254	7	from	from	IN
cord-351222-9bfchw4u	254	8	in	in	IN
cord-351222-9bfchw4u	254	9	silico	silico	NN
cord-351222-9bfchw4u	254	10	predictions	prediction	NNS
cord-351222-9bfchw4u	254	11	may	may	MD
cord-351222-9bfchw4u	254	12	nevertheless	nevertheless	RB
cord-351222-9bfchw4u	254	13	be	be	VB
cord-351222-9bfchw4u	254	14	too	too	RB
cord-351222-9bfchw4u	254	15	vague	vague	JJ
cord-351222-9bfchw4u	254	16	for	for	IN
cord-351222-9bfchw4u	254	17	a	a	DT
cord-351222-9bfchw4u	254	18	NP	NP	NNP
cord-351222-9bfchw4u	254	19	researcher	researcher	NN
cord-351222-9bfchw4u	254	20	.	.	.
cord-351222-9bfchw4u	255	1	Methods	method	NNS
cord-351222-9bfchw4u	255	2	are	be	VBP
cord-351222-9bfchw4u	255	3	asked	ask	VBN
cord-351222-9bfchw4u	255	4	to	to	TO
cord-351222-9bfchw4u	255	5	further	further	RB
cord-351222-9bfchw4u	255	6	increase	increase	VB
cord-351222-9bfchw4u	255	7	the	the	DT
cord-351222-9bfchw4u	255	8	probability	probability	NN
cord-351222-9bfchw4u	255	9	of	of	IN
cord-351222-9bfchw4u	255	10	following	follow	VBG
cord-351222-9bfchw4u	255	11	the	the	DT
cord-351222-9bfchw4u	255	12	straight	straight	JJ
cord-351222-9bfchw4u	255	13	tip	tip	NN
cord-351222-9bfchw4u	255	14	.	.	.
cord-351222-9bfchw4u	256	1	There	there	EX
cord-351222-9bfchw4u	256	2	is	be	VBZ
cord-351222-9bfchw4u	256	3	the	the	DT
cord-351222-9bfchw4u	256	4	possibility	possibility	NN
cord-351222-9bfchw4u	256	5	to	to	TO
cord-351222-9bfchw4u	256	6	hyphenate	hyphenate	VB
cord-351222-9bfchw4u	256	7	sundry	sundry	JJ
cord-351222-9bfchw4u	256	8	computational	computational	JJ
cord-351222-9bfchw4u	256	9	approaches	approach	NNS
cord-351222-9bfchw4u	256	10	,	,	,
cord-351222-9bfchw4u	256	11	e.g.	e.g.	RB
cord-351222-9bfchw4u	256	12	,	,	,
cord-351222-9bfchw4u	256	13	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	256	14	-	-	HYPH
cord-351222-9bfchw4u	256	15	based	base	VBN
cord-351222-9bfchw4u	256	16	virtual	virtual	JJ
cord-351222-9bfchw4u	256	17	screening	screening	NN
cord-351222-9bfchw4u	256	18	combined	combine	VBN
cord-351222-9bfchw4u	256	19	with	with	IN
cord-351222-9bfchw4u	256	20	docking	docking	NN
cord-351222-9bfchw4u	256	21	of	of	IN
cord-351222-9bfchw4u	256	22	the	the	DT
cord-351222-9bfchw4u	256	23	resulting	result	VBG
cord-351222-9bfchw4u	256	24	virtual	virtual	JJ
cord-351222-9bfchw4u	256	25	hits	hit	NNS
cord-351222-9bfchw4u	256	26	,	,	,
cord-351222-9bfchw4u	256	27	or	or	CC
cord-351222-9bfchw4u	256	28	to	to	TO
cord-351222-9bfchw4u	256	29	consider	consider	VB
cord-351222-9bfchw4u	256	30	only	only	RB
cord-351222-9bfchw4u	256	31	the	the	DT
cord-351222-9bfchw4u	256	32	consensus	consensus	NN
cord-351222-9bfchw4u	256	33	hits	hit	VBZ
cord-351222-9bfchw4u	256	34	applying	apply	VBG
cord-351222-9bfchw4u	256	35	two	two	CD
cord-351222-9bfchw4u	256	36	or	or	CC
cord-351222-9bfchw4u	256	37	more	more	JJR
cord-351222-9bfchw4u	256	38	screening	screening	NN
cord-351222-9bfchw4u	256	39	concepts	concept	NNS
cord-351222-9bfchw4u	256	40	.	.	.
cord-351222-9bfchw4u	257	1	Nevertheless	nevertheless	RB
cord-351222-9bfchw4u	257	2	all	all	PDT
cord-351222-9bfchw4u	257	3	these	these	DT
cord-351222-9bfchw4u	257	4	strate	strate	NNP
cord-351222-9bfchw4u	257	5	-	-	HYPH
cord-351222-9bfchw4u	257	6	gies	gies	NNP
cord-351222-9bfchw4u	257	7	remain	remain	VBP
cord-351222-9bfchw4u	257	8	virtual	virtual	JJ
cord-351222-9bfchw4u	257	9	and	and	CC
cord-351222-9bfchw4u	257	10	speculative	speculative	JJ
cord-351222-9bfchw4u	257	11	.	.	.
cord-351222-9bfchw4u	258	1	The	the	DT
cord-351222-9bfchw4u	258	2	combination	combination	NN
cord-351222-9bfchw4u	258	3	of	of	IN
cord-351222-9bfchw4u	258	4	two	two	CD
cord-351222-9bfchw4u	258	5	approaches	approach	NNS
cord-351222-9bfchw4u	258	6	,	,	,
cord-351222-9bfchw4u	258	7	which	which	WDT
cord-351222-9bfchw4u	258	8	are	be	VBP
cord-351222-9bfchw4u	258	9	completely	completely	RB
cord-351222-9bfchw4u	258	10	divergent	divergent	JJ
cord-351222-9bfchw4u	258	11	in	in	IN
cord-351222-9bfchw4u	258	12	nature	nature	NN
cord-351222-9bfchw4u	258	13	,	,	,
cord-351222-9bfchw4u	258	14	like	like	IN
cord-351222-9bfchw4u	258	15	a	a	DT
cord-351222-9bfchw4u	258	16	computational	computational	NN
cord-351222-9bfchw4u	258	17	and	and	CC
cord-351222-9bfchw4u	258	18	an	an	DT
cord-351222-9bfchw4u	258	19	empirical	empirical	JJ
cord-351222-9bfchw4u	258	20	one	one	NN
cord-351222-9bfchw4u	258	21	may	may	MD
cord-351222-9bfchw4u	258	22	however	however	RB
cord-351222-9bfchw4u	258	23	offer	offer	VB
cord-351222-9bfchw4u	258	24	a	a	DT
cord-351222-9bfchw4u	258	25	more	more	RBR
cord-351222-9bfchw4u	258	26	deepened	deepen	VBN
cord-351222-9bfchw4u	258	27	access	access	NN
cord-351222-9bfchw4u	258	28	to	to	IN
cord-351222-9bfchw4u	258	29	bioactive	bioactive	JJ
cord-351222-9bfchw4u	258	30	NPs	NPs	NNP
cord-351222-9bfchw4u	258	31	and	and	CC
cord-351222-9bfchw4u	258	32	may	may	MD
cord-351222-9bfchw4u	258	33	sometimes	sometimes	RB
cord-351222-9bfchw4u	258	34	help	help	VB
cord-351222-9bfchw4u	258	35	to	to	TO
cord-351222-9bfchw4u	258	36	avoid	avoid	VB
cord-351222-9bfchw4u	258	37	a	a	DT
cord-351222-9bfchw4u	258	38	distorted	distorted	JJ
cord-351222-9bfchw4u	258	39	view	view	NN
cord-351222-9bfchw4u	258	40	.	.	.
cord-351222-9bfchw4u	259	1	Thus	thus	RB
cord-351222-9bfchw4u	259	2	,	,	,
cord-351222-9bfchw4u	259	3	the	the	DT
cord-351222-9bfchw4u	259	4	computer	computer	NN
cord-351222-9bfchw4u	259	5	-	-	HYPH
cord-351222-9bfchw4u	259	6	aided	aid	VBN
cord-351222-9bfchw4u	259	7	molecular	molecular	JJ
cord-351222-9bfchw4u	259	8	selection	selection	NN
cord-351222-9bfchw4u	259	9	is	be	VBZ
cord-351222-9bfchw4u	259	10	best	well	RBS
cord-351222-9bfchw4u	259	11	combined	combine	VBN
cord-351222-9bfchw4u	259	12	with	with	IN
cord-351222-9bfchw4u	259	13	further	further	JJ
cord-351222-9bfchw4u	259	14	discovery	discovery	NN
cord-351222-9bfchw4u	259	15	methods	method	NNS
cord-351222-9bfchw4u	259	16	,	,	,
cord-351222-9bfchw4u	259	17	labeled	label	VBN
cord-351222-9bfchw4u	259	18	as	as	IN
cord-351222-9bfchw4u	259	19	integrated	integrate	VBN
cord-351222-9bfchw4u	259	20	approaches	approach	NNS
cord-351222-9bfchw4u	259	21	,	,	,
cord-351222-9bfchw4u	259	22	to	to	TO
cord-351222-9bfchw4u	259	23	increase	increase	VB
cord-351222-9bfchw4u	259	24	the	the	DT
cord-351222-9bfchw4u	259	25	probability	probability	NN
cord-351222-9bfchw4u	259	26	in	in	IN
cord-351222-9bfchw4u	259	27	finding	find	VBG
cord-351222-9bfchw4u	259	28	a	a	DT
cord-351222-9bfchw4u	259	29	real	real	JJ
cord-351222-9bfchw4u	259	30	hit	hit	NN
cord-351222-9bfchw4u	259	31	.	.	.
cord-351222-9bfchw4u	260	1	In	in	IN
cord-351222-9bfchw4u	260	2	traditional	traditional	JJ
cord-351222-9bfchw4u	260	3	pharmacognosy	pharmacognosy	NN
cord-351222-9bfchw4u	260	4	there	there	EX
cord-351222-9bfchw4u	260	5	are	be	VBP
cord-351222-9bfchw4u	260	6	some	some	DT
cord-351222-9bfchw4u	260	7	well	well	RB
cord-351222-9bfchw4u	260	8	established	establish	VBN
cord-351222-9bfchw4u	260	9	methods	method	NNS
cord-351222-9bfchw4u	260	10	in	in	IN
cord-351222-9bfchw4u	260	11	targeting	target	VBG
cord-351222-9bfchw4u	260	12	this	this	DT
cord-351222-9bfchw4u	260	13	aim	aim	NN
cord-351222-9bfchw4u	260	14	starting	start	VBG
cord-351222-9bfchw4u	260	15	from	from	IN
cord-351222-9bfchw4u	260	16	a	a	DT
cord-351222-9bfchw4u	260	17	holistic	holistic	JJ
cord-351222-9bfchw4u	260	18	level	level	NN
cord-351222-9bfchw4u	260	19	.	.	.
cord-351222-9bfchw4u	261	1	These	these	DT
cord-351222-9bfchw4u	261	2	include	include	VBP
cord-351222-9bfchw4u	261	3	(	(	-LRB-
cord-351222-9bfchw4u	261	4	i	i	NN
cord-351222-9bfchw4u	261	5	)	)	-RRB-
cord-351222-9bfchw4u	261	6	hints	hint	VBZ
cord-351222-9bfchw4u	261	7	from	from	IN
cord-351222-9bfchw4u	261	8	ethnopharmacology	ethnopharmacology	NNP
cord-351222-9bfchw4u	261	9	,	,	,
cord-351222-9bfchw4u	261	10	(	(	-LRB-
cord-351222-9bfchw4u	261	11	ii	ii	NN
cord-351222-9bfchw4u	261	12	)	)	-RRB-
cord-351222-9bfchw4u	261	13	phenomenological	phenomenological	JJ
cord-351222-9bfchw4u	261	14	effects	effect	NNS
cord-351222-9bfchw4u	261	15	registered	register	VBN
cord-351222-9bfchw4u	261	16	after	after	IN
cord-351222-9bfchw4u	261	17	application	application	NN
cord-351222-9bfchw4u	261	18	of	of	IN
cord-351222-9bfchw4u	261	19	naturally	naturally	RB
cord-351222-9bfchw4u	261	20	derived	derive	VBN
cord-351222-9bfchw4u	261	21	preparations	preparation	NNS
cord-351222-9bfchw4u	261	22	,	,	,
cord-351222-9bfchw4u	261	23	(	(	-LRB-
cord-351222-9bfchw4u	261	24	iii	iii	NN
cord-351222-9bfchw4u	261	25	)	)	-RRB-
cord-351222-9bfchw4u	261	26	guidance	guidance	NN
cord-351222-9bfchw4u	261	27	of	of	IN
cord-351222-9bfchw4u	261	28	chemotaxonomy	chemotaxonomy	NN
cord-351222-9bfchw4u	261	29	,	,	,
cord-351222-9bfchw4u	261	30	(	(	-LRB-
cord-351222-9bfchw4u	261	31	iv	iv	LS
cord-351222-9bfchw4u	261	32	)	)	-RRB-
cord-351222-9bfchw4u	261	33	phylogenetic	phylogenetic	NN
cord-351222-9bfchw4u	261	34	selection	selection	NN
cord-351222-9bfchw4u	261	35	criteria	criterion	NNS
cord-351222-9bfchw4u	261	36	,	,	,
cord-351222-9bfchw4u	261	37	or	or	CC
cord-351222-9bfchw4u	261	38	(	(	-LRB-
cord-351222-9bfchw4u	261	39	v	v	NN
cord-351222-9bfchw4u	261	40	)	)	-RRB-
cord-351222-9bfchw4u	261	41	simply	simply	RB
cord-351222-9bfchw4u	261	42	information	information	NN
cord-351222-9bfchw4u	261	43	gathered	gather	VBD
cord-351222-9bfchw4u	261	44	from	from	IN
cord-351222-9bfchw4u	261	45	a	a	DT
cord-351222-9bfchw4u	261	46	high	high	JJ
cord-351222-9bfchw4u	261	47	/	/	SYM
cord-351222-9bfchw4u	261	48	medium	medium	NN
cord-351222-9bfchw4u	261	49	throughput	throughput	NN
cord-351222-9bfchw4u	261	50	screening	screening	NN
cord-351222-9bfchw4u	261	51	of	of	IN
cord-351222-9bfchw4u	261	52	extracts	extract	NNS
cord-351222-9bfchw4u	261	53	.	.	.
cord-351222-9bfchw4u	262	1	In	in	IN
cord-351222-9bfchw4u	262	2	a	a	DT
cord-351222-9bfchw4u	262	3	recently	recently	RB
cord-351222-9bfchw4u	262	4	published	publish	VBN
cord-351222-9bfchw4u	262	5	review	review	NN
cord-351222-9bfchw4u	262	6	from	from	IN
cord-351222-9bfchw4u	262	7	our	-PRON-	PRP$
cord-351222-9bfchw4u	262	8	group	group	NN
cord-351222-9bfchw4u	262	9	,	,	,
cord-351222-9bfchw4u	262	10	different	different	JJ
cord-351222-9bfchw4u	262	11	strategies	strategy	NNS
cord-351222-9bfchw4u	262	12	in	in	IN
cord-351222-9bfchw4u	262	13	the	the	DT
cord-351222-9bfchw4u	262	14	field	field	NN
cord-351222-9bfchw4u	262	15	of	of	IN
cord-351222-9bfchw4u	262	16	NPs	NPs	NNPS
cord-351222-9bfchw4u	262	17	have	have	VBP
cord-351222-9bfchw4u	262	18	been	be	VBN
cord-351222-9bfchw4u	262	19	presented	present	VBN
cord-351222-9bfchw4u	262	20	with	with	IN
cord-351222-9bfchw4u	262	21	special	special	JJ
cord-351222-9bfchw4u	262	22	emphasis	emphasis	NN
cord-351222-9bfchw4u	262	23	on	on	IN
cord-351222-9bfchw4u	262	24	anti	anti	JJ
cord-351222-9bfchw4u	262	25	-	-	JJ
cord-351222-9bfchw4u	262	26	inflammatory	inflammatory	JJ
cord-351222-9bfchw4u	262	27	NPs	NPs	NNPS
cord-351222-9bfchw4u	262	28	interacting	interact	VBG
cord-351222-9bfchw4u	262	29	within	within	IN
cord-351222-9bfchw4u	262	30	the	the	DT
cord-351222-9bfchw4u	262	31	arachidonic	arachidonic	NN
cord-351222-9bfchw4u	262	32	cascade	cascade	NN
cord-351222-9bfchw4u	262	33	[	[	-LRB-
cord-351222-9bfchw4u	262	34	84	84	CD
cord-351222-9bfchw4u	262	35	]	]	-RRB-
cord-351222-9bfchw4u	262	36	.	.	.
cord-351222-9bfchw4u	263	1	Integrated	integrated	JJ
cord-351222-9bfchw4u	263	2	computational	computational	JJ
cord-351222-9bfchw4u	263	3	strategies	strategy	NNS
cord-351222-9bfchw4u	263	4	for	for	IN
cord-351222-9bfchw4u	263	5	the	the	DT
cord-351222-9bfchw4u	263	6	discovery	discovery	NN
cord-351222-9bfchw4u	263	7	of	of	IN
cord-351222-9bfchw4u	263	8	natural	natural	JJ
cord-351222-9bfchw4u	263	9	bioactive	bioactive	JJ
cord-351222-9bfchw4u	263	10	compounds	compound	NNS
cord-351222-9bfchw4u	263	11	have	have	VBP
cord-351222-9bfchw4u	263	12	been	be	VBN
cord-351222-9bfchw4u	263	13	introduced	introduce	VBN
cord-351222-9bfchw4u	263	14	elsewhere	elsewhere	RB
cord-351222-9bfchw4u	263	15	concentrating	concentrate	VBG
cord-351222-9bfchw4u	263	16	on	on	IN
cord-351222-9bfchw4u	263	17	their	-PRON-	PRP$
cord-351222-9bfchw4u	263	18	scope	scope	NN
cord-351222-9bfchw4u	263	19	,	,	,
cord-351222-9bfchw4u	263	20	strengths	strength	NNS
cord-351222-9bfchw4u	263	21	and	and	CC
cord-351222-9bfchw4u	263	22	limits	limit	NNS
cord-351222-9bfchw4u	263	23	[	[	-LRB-
cord-351222-9bfchw4u	263	24	85	85	CD
cord-351222-9bfchw4u	263	25	]	]	-RRB-
cord-351222-9bfchw4u	263	26	.	.	.
cord-351222-9bfchw4u	264	1	Some	some	DT
cord-351222-9bfchw4u	264	2	strategies	strategy	NNS
cord-351222-9bfchw4u	264	3	and	and	CC
cord-351222-9bfchw4u	264	4	examples	example	NNS
cord-351222-9bfchw4u	264	5	from	from	IN
cord-351222-9bfchw4u	264	6	literature	literature	NN
cord-351222-9bfchw4u	264	7	combining	combine	VBG
cord-351222-9bfchw4u	264	8	virtual	virtual	JJ
cord-351222-9bfchw4u	264	9	screening	screening	NN
cord-351222-9bfchw4u	264	10	approaches	approach	NNS
cord-351222-9bfchw4u	264	11	and	and	CC
cord-351222-9bfchw4u	264	12	classical	classical	JJ
cord-351222-9bfchw4u	264	13	methods	method	NNS
cord-351222-9bfchw4u	264	14	for	for	IN
cord-351222-9bfchw4u	264	15	activity	activity	NN
cord-351222-9bfchw4u	264	16	exploitation	exploitation	NN
cord-351222-9bfchw4u	264	17	are	be	VBP
cord-351222-9bfchw4u	264	18	outlined	outline	VBN
cord-351222-9bfchw4u	264	19	below	below	RB
cord-351222-9bfchw4u	264	20	.	.	.
cord-351222-9bfchw4u	265	1	As	as	RB
cord-351222-9bfchw4u	265	2	soon	soon	RB
cord-351222-9bfchw4u	265	3	as	as	IN
cord-351222-9bfchw4u	265	4	a	a	DT
cord-351222-9bfchw4u	265	5	sensitive	sensitive	JJ
cord-351222-9bfchw4u	265	6	data	data	NN
cord-351222-9bfchw4u	265	7	-	-	HYPH
cord-351222-9bfchw4u	265	8	mining	mining	NN
cord-351222-9bfchw4u	265	9	tool	tool	NN
cord-351222-9bfchw4u	265	10	has	have	VBZ
cord-351222-9bfchw4u	265	11	been	be	VBN
cord-351222-9bfchw4u	265	12	developed	develop	VBN
cord-351222-9bfchw4u	265	13	and	and	CC
cord-351222-9bfchw4u	265	14	has	have	VBZ
cord-351222-9bfchw4u	265	15	proved	prove	VBN
cord-351222-9bfchw4u	265	16	itself	-PRON-	PRP
cord-351222-9bfchw4u	265	17	by	by	IN
cord-351222-9bfchw4u	265	18	more	more	JJR
cord-351222-9bfchw4u	265	19	or	or	CC
cord-351222-9bfchw4u	265	20	less	less	RBR
cord-351222-9bfchw4u	265	21	selectively	selectively	RB
cord-351222-9bfchw4u	265	22	finding	find	VBG
cord-351222-9bfchw4u	265	23	the	the	DT
cord-351222-9bfchw4u	265	24	active	active	JJ
cord-351222-9bfchw4u	265	25	compounds	compound	NNS
cord-351222-9bfchw4u	265	26	within	within	IN
cord-351222-9bfchw4u	265	27	a	a	DT
cord-351222-9bfchw4u	265	28	test	test	NN
cord-351222-9bfchw4u	265	29	set	set	NN
cord-351222-9bfchw4u	265	30	,	,	,
cord-351222-9bfchw4u	265	31	it	-PRON-	PRP
cord-351222-9bfchw4u	265	32	can	can	MD
cord-351222-9bfchw4u	265	33	be	be	VB
cord-351222-9bfchw4u	265	34	applied	apply	VBN
cord-351222-9bfchw4u	265	35	for	for	IN
cord-351222-9bfchw4u	265	36	screening	screen	VBG
cord-351222-9bfchw4u	265	37	a	a	DT
cord-351222-9bfchw4u	265	38	3D	3d	JJ
cord-351222-9bfchw4u	265	39	multi	multi	JJ
cord-351222-9bfchw4u	265	40	-	-	JJ
cord-351222-9bfchw4u	265	41	conformational	conformational	JJ
cord-351222-9bfchw4u	265	42	database	database	NN
cord-351222-9bfchw4u	265	43	.	.	.
cord-351222-9bfchw4u	266	1	The	the	DT
cord-351222-9bfchw4u	266	2	subsequent	subsequent	JJ
cord-351222-9bfchw4u	266	3	procedure	procedure	NN
cord-351222-9bfchw4u	266	4	consists	consist	VBZ
cord-351222-9bfchw4u	266	5	of	of	IN
cord-351222-9bfchw4u	266	6	the	the	DT
cord-351222-9bfchw4u	266	7	evaluation	evaluation	NN
cord-351222-9bfchw4u	266	8	of	of	IN
cord-351222-9bfchw4u	266	9	the	the	DT
cord-351222-9bfchw4u	266	10	virtual	virtual	JJ
cord-351222-9bfchw4u	266	11	hits	hit	NNS
cord-351222-9bfchw4u	266	12	considering	consider	VBG
cord-351222-9bfchw4u	266	13	physicochemical	physicochemical	JJ
cord-351222-9bfchw4u	266	14	properties	property	NNS
cord-351222-9bfchw4u	266	15	,	,	,
cord-351222-9bfchw4u	266	16	toxicity	toxicity	NN
cord-351222-9bfchw4u	266	17	and	and	CC
cord-351222-9bfchw4u	266	18	pharmacokinetics	pharmacokinetic	NNS
cord-351222-9bfchw4u	266	19	.	.	.
cord-351222-9bfchw4u	267	1	In	in	IN
cord-351222-9bfchw4u	267	2	this	this	DT
cord-351222-9bfchw4u	267	3	stage	stage	NN
cord-351222-9bfchw4u	267	4	additional	additional	JJ
cord-351222-9bfchw4u	267	5	virtual	virtual	JJ
cord-351222-9bfchw4u	267	6	filtering	filtering	NN
cord-351222-9bfchw4u	267	7	tools	tool	NNS
cord-351222-9bfchw4u	267	8	for	for	IN
cord-351222-9bfchw4u	267	9	the	the	DT
cord-351222-9bfchw4u	267	10	profiling	profiling	NN
cord-351222-9bfchw4u	267	11	of	of	IN
cord-351222-9bfchw4u	267	12	ADME	ADME	NNP
cord-351222-9bfchw4u	267	13	parameters	parameter	NNS
cord-351222-9bfchw4u	267	14	[	[	-LRB-
cord-351222-9bfchw4u	267	15	86	86	CD
cord-351222-9bfchw4u	267	16	]	]	-RRB-
cord-351222-9bfchw4u	267	17	might	may	MD
cord-351222-9bfchw4u	267	18	have	have	VB
cord-351222-9bfchw4u	267	19	an	an	DT
cord-351222-9bfchw4u	267	20	invaluable	invaluable	JJ
cord-351222-9bfchw4u	267	21	impact	impact	NN
cord-351222-9bfchw4u	267	22	to	to	TO
cord-351222-9bfchw4u	267	23	aid	aid	VB
cord-351222-9bfchw4u	267	24	a	a	DT
cord-351222-9bfchw4u	267	25	refined	refined	JJ
cord-351222-9bfchw4u	267	26	selection	selection	NN
cord-351222-9bfchw4u	267	27	of	of	IN
cord-351222-9bfchw4u	267	28	compounds	compound	NNS
cord-351222-9bfchw4u	267	29	.	.	.
cord-351222-9bfchw4u	268	1	Then	then	RB
cord-351222-9bfchw4u	268	2	,	,	,
cord-351222-9bfchw4u	268	3	a	a	DT
cord-351222-9bfchw4u	268	4	sensible	sensible	JJ
cord-351222-9bfchw4u	268	5	choice	choice	NN
cord-351222-9bfchw4u	268	6	of	of	IN
cord-351222-9bfchw4u	268	7	natural	natural	JJ
cord-351222-9bfchw4u	268	8	materials	material	NNS
cord-351222-9bfchw4u	268	9	known	know	VBN
cord-351222-9bfchw4u	268	10	to	to	TO
cord-351222-9bfchw4u	268	11	contain	contain	VB
cord-351222-9bfchw4u	268	12	the	the	DT
cord-351222-9bfchw4u	268	13	focused	focused	JJ
cord-351222-9bfchw4u	268	14	metabolites	metabolite	NNS
cord-351222-9bfchw4u	268	15	and	and	CC
cord-351222-9bfchw4u	268	16	worth	worth	JJ
cord-351222-9bfchw4u	268	17	investigating	investigate	VBG
cord-351222-9bfchw4u	268	18	in	in	IN
cord-351222-9bfchw4u	268	19	detail	detail	NN
cord-351222-9bfchw4u	268	20	is	be	VBZ
cord-351222-9bfchw4u	268	21	a	a	DT
cord-351222-9bfchw4u	268	22	crucial	crucial	JJ
cord-351222-9bfchw4u	268	23	step	step	NN
cord-351222-9bfchw4u	268	24	.	.	.
cord-351222-9bfchw4u	269	1	It	-PRON-	PRP
cord-351222-9bfchw4u	269	2	requires	require	VBZ
cord-351222-9bfchw4u	269	3	a	a	DT
cord-351222-9bfchw4u	269	4	comprehensive	comprehensive	JJ
cord-351222-9bfchw4u	269	5	study	study	NN
cord-351222-9bfchw4u	269	6	in	in	IN
cord-351222-9bfchw4u	269	7	literature	literature	NN
cord-351222-9bfchw4u	269	8	considering	consider	VBG
cord-351222-9bfchw4u	269	9	the	the	DT
cord-351222-9bfchw4u	269	10	hit	hit	VBN
cord-351222-9bfchw4u	269	11	content	content	NN
cord-351222-9bfchw4u	269	12	in	in	IN
cord-351222-9bfchw4u	269	13	the	the	DT
cord-351222-9bfchw4u	269	14	natural	natural	JJ
cord-351222-9bfchw4u	269	15	source	source	NN
cord-351222-9bfchw4u	269	16	,	,	,
cord-351222-9bfchw4u	269	17	its	-PRON-	PRP$
cord-351222-9bfchw4u	269	18	availability	availability	NN
cord-351222-9bfchw4u	269	19	and	and	CC
cord-351222-9bfchw4u	269	20	maybe	maybe	RB
cord-351222-9bfchw4u	269	21	hints	hint	NNS
cord-351222-9bfchw4u	269	22	from	from	IN
cord-351222-9bfchw4u	269	23	ethnopharmacology	ethnopharmacology	NNP
cord-351222-9bfchw4u	269	24	.	.	.
cord-351222-9bfchw4u	270	1	Once	once	IN
cord-351222-9bfchw4u	270	2	some	some	DT
cord-351222-9bfchw4u	270	3	natural	natural	JJ
cord-351222-9bfchw4u	270	4	materials	material	NNS
cord-351222-9bfchw4u	270	5	are	be	VBP
cord-351222-9bfchw4u	270	6	selected	select	VBN
cord-351222-9bfchw4u	270	7	,	,	,
cord-351222-9bfchw4u	270	8	it	-PRON-	PRP
cord-351222-9bfchw4u	270	9	is	be	VBZ
cord-351222-9bfchw4u	270	10	advisable	advisable	JJ
cord-351222-9bfchw4u	270	11	to	to	TO
cord-351222-9bfchw4u	270	12	perform	perform	VB
cord-351222-9bfchw4u	270	13	a	a	DT
cord-351222-9bfchw4u	270	14	preliminary	preliminary	JJ
cord-351222-9bfchw4u	270	15	assay	assay	NN
cord-351222-9bfchw4u	270	16	with	with	IN
cord-351222-9bfchw4u	270	17	those	those	DT
cord-351222-9bfchw4u	270	18	crude	crude	JJ
cord-351222-9bfchw4u	270	19	extracts	extract	NNS
cord-351222-9bfchw4u	270	20	and	and	CC
cord-351222-9bfchw4u	270	21	fractions	fraction	NNS
cord-351222-9bfchw4u	270	22	assumed	assume	VBN
cord-351222-9bfchw4u	270	23	to	to	TO
cord-351222-9bfchw4u	270	24	contain	contain	VB
cord-351222-9bfchw4u	270	25	the	the	DT
cord-351222-9bfchw4u	270	26	promising	promising	JJ
cord-351222-9bfchw4u	270	27	metabolite	metabolite	NN
cord-351222-9bfchw4u	270	28	/	/	SYM
cord-351222-9bfchw4u	270	29	s	s	NN
cord-351222-9bfchw4u	270	30	.	.	.
cord-351222-9bfchw4u	271	1	Though	though	IN
cord-351222-9bfchw4u	271	2	being	be	VBG
cord-351222-9bfchw4u	271	3	aware	aware	JJ
cord-351222-9bfchw4u	271	4	that	that	IN
cord-351222-9bfchw4u	271	5	in	in	IN
cord-351222-9bfchw4u	271	6	case	case	NN
cord-351222-9bfchw4u	271	7	of	of	IN
cord-351222-9bfchw4u	271	8	small	small	JJ
cord-351222-9bfchw4u	271	9	hit	hit	NN
cord-351222-9bfchw4u	271	10	amounts	amount	NNS
cord-351222-9bfchw4u	271	11	present	present	JJ
cord-351222-9bfchw4u	271	12	in	in	IN
cord-351222-9bfchw4u	271	13	the	the	DT
cord-351222-9bfchw4u	271	14	natural	natural	JJ
cord-351222-9bfchw4u	271	15	material	material	NN
cord-351222-9bfchw4u	271	16	the	the	DT
cord-351222-9bfchw4u	271	17	activity	activity	NN
cord-351222-9bfchw4u	271	18	may	may	MD
cord-351222-9bfchw4u	271	19	be	be	VB
cord-351222-9bfchw4u	271	20	overseen	oversee	VBN
cord-351222-9bfchw4u	271	21	.	.	.
cord-351222-9bfchw4u	272	1	Therefore	therefore	RB
cord-351222-9bfchw4u	272	2	,	,	,
cord-351222-9bfchw4u	272	3	it	-PRON-	PRP
cord-351222-9bfchw4u	272	4	is	be	VBZ
cord-351222-9bfchw4u	272	5	advisable	advisable	JJ
cord-351222-9bfchw4u	272	6	to	to	TO
cord-351222-9bfchw4u	272	7	first	first	RB
cord-351222-9bfchw4u	272	8	identify	identify	VB
cord-351222-9bfchw4u	272	9	the	the	DT
cord-351222-9bfchw4u	272	10	promising	promising	JJ
cord-351222-9bfchw4u	272	11	constituent	constituent	NN
cord-351222-9bfchw4u	272	12	and	and	CC
cord-351222-9bfchw4u	272	13	to	to	TO
cord-351222-9bfchw4u	272	14	possibly	possibly	RB
cord-351222-9bfchw4u	272	15	enrich	enrich	VB
cord-351222-9bfchw4u	272	16	it	-PRON-	PRP
cord-351222-9bfchw4u	272	17	in	in	IN
cord-351222-9bfchw4u	272	18	the	the	DT
cord-351222-9bfchw4u	272	19	extract	extract	NN
cord-351222-9bfchw4u	272	20	to	to	TO
cord-351222-9bfchw4u	272	21	be	be	VB
cord-351222-9bfchw4u	272	22	tested	test	VBN
cord-351222-9bfchw4u	272	23	.	.	.
cord-351222-9bfchw4u	273	1	Those	those	DT
cord-351222-9bfchw4u	273	2	samples	sample	NNS
cord-351222-9bfchw4u	273	3	that	that	WDT
cord-351222-9bfchw4u	273	4	scored	score	VBD
cord-351222-9bfchw4u	273	5	well	well	RB
cord-351222-9bfchw4u	273	6	are	be	VBP
cord-351222-9bfchw4u	273	7	then	then	RB
cord-351222-9bfchw4u	273	8	subjected	subject	VBN
cord-351222-9bfchw4u	273	9	to	to	IN
cord-351222-9bfchw4u	273	10	phytochemical	phytochemical	JJ
cord-351222-9bfchw4u	273	11	investigations	investigation	NNS
cord-351222-9bfchw4u	273	12	.	.	.
cord-351222-9bfchw4u	274	1	In	in	IN
cord-351222-9bfchw4u	274	2	this	this	DT
cord-351222-9bfchw4u	274	3	way	way	NN
cord-351222-9bfchw4u	274	4	,	,	,
cord-351222-9bfchw4u	274	5	the	the	DT
cord-351222-9bfchw4u	274	6	tricky	tricky	JJ
cord-351222-9bfchw4u	274	7	selection	selection	NN
cord-351222-9bfchw4u	274	8	of	of	IN
cord-351222-9bfchw4u	274	9	the	the	DT
cord-351222-9bfchw4u	274	10	natural	natural	JJ
cord-351222-9bfchw4u	274	11	material	material	NN
cord-351222-9bfchw4u	274	12	turns	turn	VBZ
cord-351222-9bfchw4u	274	13	from	from	IN
cord-351222-9bfchw4u	274	14	a	a	DT
cord-351222-9bfchw4u	274	15	bold	bold	JJ
cord-351222-9bfchw4u	274	16	venture	venture	NN
cord-351222-9bfchw4u	274	17	to	to	IN
cord-351222-9bfchw4u	274	18	a	a	DT
cord-351222-9bfchw4u	274	19	more	more	RBR
cord-351222-9bfchw4u	274	20	rationalized	rationalized	JJ
cord-351222-9bfchw4u	274	21	endeavor	endeavor	NN
cord-351222-9bfchw4u	274	22	.	.	.
cord-351222-9bfchw4u	275	1	As	as	RB
cord-351222-9bfchw4u	275	2	soon	soon	RB
cord-351222-9bfchw4u	275	3	as	as	IN
cord-351222-9bfchw4u	275	4	a	a	DT
cord-351222-9bfchw4u	275	5	promising	promise	VBG
cord-351222-9bfchw4u	275	6	(	(	-LRB-
cord-351222-9bfchw4u	275	7	i.e.	i.e.	FW
cord-351222-9bfchw4u	275	8	,	,	,
cord-351222-9bfchw4u	275	9	active	active	JJ
cord-351222-9bfchw4u	275	10	)	)	-RRB-
cord-351222-9bfchw4u	275	11	starting	start	VBG
cord-351222-9bfchw4u	275	12	material	material	NN
cord-351222-9bfchw4u	275	13	is	be	VBZ
cord-351222-9bfchw4u	275	14	found	find	VBN
cord-351222-9bfchw4u	275	15	,	,	,
cord-351222-9bfchw4u	275	16	there	there	EX
cord-351222-9bfchw4u	275	17	are	be	VBP
cord-351222-9bfchw4u	275	18	in	in	IN
cord-351222-9bfchw4u	275	19	principle	principle	JJ
cord-351222-9bfchw4u	275	20	two	two	CD
cord-351222-9bfchw4u	275	21	possible	possible	JJ
cord-351222-9bfchw4u	275	22	strategies	strategy	NNS
cord-351222-9bfchw4u	275	23	to	to	TO
cord-351222-9bfchw4u	275	24	embark	embark	VB
cord-351222-9bfchw4u	275	25	on	on	IN
cord-351222-9bfchw4u	275	26	:	:	:
cord-351222-9bfchw4u	276	1	The	the	DT
cord-351222-9bfchw4u	276	2	first	first	JJ
cord-351222-9bfchw4u	276	3	one	one	NN
cord-351222-9bfchw4u	276	4	relies	rely	VBZ
cord-351222-9bfchw4u	276	5	more	more	RBR
cord-351222-9bfchw4u	276	6	on	on	IN
cord-351222-9bfchw4u	276	7	the	the	DT
cord-351222-9bfchw4u	276	8	in	in	IN
cord-351222-9bfchw4u	276	9	silico	silico	NN
cord-351222-9bfchw4u	276	10	approach	approach	NN
cord-351222-9bfchw4u	276	11	and	and	CC
cord-351222-9bfchw4u	276	12	focuses	focus	VBZ
cord-351222-9bfchw4u	276	13	directly	directly	RB
cord-351222-9bfchw4u	276	14	on	on	RB
cord-351222-9bfchw4u	276	15	.	.	.
cord-351222-9bfchw4u	277	1	Strategy	strategy	NN
cord-351222-9bfchw4u	277	2	A	a	NN
cord-351222-9bfchw4u	277	3	for	for	IN
cord-351222-9bfchw4u	277	4	the	the	DT
cord-351222-9bfchw4u	277	5	discovery	discovery	NN
cord-351222-9bfchw4u	277	6	of	of	IN
cord-351222-9bfchw4u	277	7	bioactive	bioactive	JJ
cord-351222-9bfchw4u	277	8	NPs	NPs	NNPS
cord-351222-9bfchw4u	277	9	using	use	VBG
cord-351222-9bfchw4u	277	10	an	an	DT
cord-351222-9bfchw4u	277	11	integrated	integrated	JJ
cord-351222-9bfchw4u	277	12	virtual	virtual	JJ
cord-351222-9bfchw4u	277	13	screening	screening	NN
cord-351222-9bfchw4u	277	14	approach	approach	NN
cord-351222-9bfchw4u	277	15	the	the	DT
cord-351222-9bfchw4u	277	16	identification	identification	NN
cord-351222-9bfchw4u	277	17	of	of	IN
cord-351222-9bfchw4u	277	18	the	the	DT
cord-351222-9bfchw4u	277	19	initially	initially	RB
cord-351222-9bfchw4u	277	20	obtained	obtain	VBN
cord-351222-9bfchw4u	277	21	virtual	virtual	JJ
cord-351222-9bfchw4u	277	22	hits	hit	NNS
cord-351222-9bfchw4u	277	23	within	within	IN
cord-351222-9bfchw4u	277	24	the	the	DT
cord-351222-9bfchw4u	277	25	natural	natural	JJ
cord-351222-9bfchw4u	277	26	matrix	matrix	NN
cord-351222-9bfchw4u	277	27	applying	apply	VBG
cord-351222-9bfchw4u	277	28	analytical	analytical	JJ
cord-351222-9bfchw4u	277	29	tools	tool	NNS
cord-351222-9bfchw4u	277	30	,	,	,
cord-351222-9bfchw4u	277	31	like	like	IN
cord-351222-9bfchw4u	277	32	LC	LC	NNP
cord-351222-9bfchw4u	277	33	-	-	HYPH
cord-351222-9bfchw4u	277	34	MS	MS	NNP
cord-351222-9bfchw4u	277	35	or	or	CC
cord-351222-9bfchw4u	277	36	LC	LC	NNP
cord-351222-9bfchw4u	277	37	-	-	HYPH
cord-351222-9bfchw4u	277	38	NMR	NMR	NNP
cord-351222-9bfchw4u	277	39	,	,	,
cord-351222-9bfchw4u	277	40	GC	GC	NNP
cord-351222-9bfchw4u	277	41	-	-	HYPH
cord-351222-9bfchw4u	277	42	MS	MS	NNP
cord-351222-9bfchw4u	277	43	etc	etc	FW
cord-351222-9bfchw4u	277	44	.	.	.
cord-351222-9bfchw4u	278	1	In	in	IN
cord-351222-9bfchw4u	278	2	a	a	DT
cord-351222-9bfchw4u	278	3	straightforward	straightforward	JJ
cord-351222-9bfchw4u	278	4	manner	manner	NN
cord-351222-9bfchw4u	278	5	the	the	DT
cord-351222-9bfchw4u	278	6	hits	hit	NNS
cord-351222-9bfchw4u	278	7	are	be	VBP
cord-351222-9bfchw4u	278	8	isolated	isolate	VBN
cord-351222-9bfchw4u	278	9	using	use	VBG
cord-351222-9bfchw4u	278	10	different	different	JJ
cord-351222-9bfchw4u	278	11	chromatographic	chromatographic	JJ
cord-351222-9bfchw4u	278	12	separation	separation	NN
cord-351222-9bfchw4u	278	13	steps	step	NNS
cord-351222-9bfchw4u	278	14	.	.	.
cord-351222-9bfchw4u	279	1	After	after	IN
cord-351222-9bfchw4u	279	2	structural	structural	JJ
cord-351222-9bfchw4u	279	3	confirmation	confirmation	NN
cord-351222-9bfchw4u	279	4	the	the	DT
cord-351222-9bfchw4u	279	5	compounds	compound	NNS
cord-351222-9bfchw4u	279	6	are	be	VBP
cord-351222-9bfchw4u	279	7	then	then	RB
cord-351222-9bfchw4u	279	8	tested	test	VBN
cord-351222-9bfchw4u	279	9	to	to	TO
cord-351222-9bfchw4u	279	10	hopefully	hopefully	RB
cord-351222-9bfchw4u	279	11	verify	verify	VB
cord-351222-9bfchw4u	279	12	the	the	DT
cord-351222-9bfchw4u	279	13	predicted	predict	VBN
cord-351222-9bfchw4u	279	14	activities	activity	NNS
cord-351222-9bfchw4u	279	15	.	.	.
cord-351222-9bfchw4u	280	1	This	this	DT
cord-351222-9bfchw4u	280	2	strategy	strategy	NN
cord-351222-9bfchw4u	280	3	is	be	VBZ
cord-351222-9bfchw4u	280	4	very	very	RB
cord-351222-9bfchw4u	280	5	goal	goal	RB
cord-351222-9bfchw4u	280	6	-	-	HYPH
cord-351222-9bfchw4u	280	7	oriented	orient	VBN
cord-351222-9bfchw4u	280	8	,	,	,
cord-351222-9bfchw4u	280	9	since	since	IN
cord-351222-9bfchw4u	280	10	only	only	JJ
cord-351222-9bfchw4u	280	11	pharmacological	pharmacological	JJ
cord-351222-9bfchw4u	280	12	assays	assay	NNS
cord-351222-9bfchw4u	280	13	for	for	IN
cord-351222-9bfchw4u	280	14	the	the	DT
cord-351222-9bfchw4u	280	15	finally	finally	RB
cord-351222-9bfchw4u	280	16	isolated	isolate	VBN
cord-351222-9bfchw4u	280	17	virtual	virtual	JJ
cord-351222-9bfchw4u	280	18	hits	hit	NNS
cord-351222-9bfchw4u	280	19	are	be	VBP
cord-351222-9bfchw4u	280	20	necessary	necessary	JJ
cord-351222-9bfchw4u	280	21	.	.	.
cord-351222-9bfchw4u	281	1	On	on	IN
cord-351222-9bfchw4u	281	2	the	the	DT
cord-351222-9bfchw4u	281	3	other	other	JJ
cord-351222-9bfchw4u	281	4	side	side	NN
cord-351222-9bfchw4u	281	5	,	,	,
cord-351222-9bfchw4u	281	6	one	one	PRP
cord-351222-9bfchw4u	281	7	may	may	MD
cord-351222-9bfchw4u	281	8	run	run	VB
cord-351222-9bfchw4u	281	9	the	the	DT
cord-351222-9bfchw4u	281	10	risk	risk	NN
cord-351222-9bfchw4u	281	11	of	of	IN
cord-351222-9bfchw4u	281	12	ignoring	ignore	VBG
cord-351222-9bfchw4u	281	13	further	further	RB
cord-351222-9bfchw4u	281	14	active	active	JJ
cord-351222-9bfchw4u	281	15	NPs	NPs	NNPS
cord-351222-9bfchw4u	281	16	not	not	RB
cord-351222-9bfchw4u	281	17	necessarily	necessarily	RB
cord-351222-9bfchw4u	281	18	fitting	fit	VBG
cord-351222-9bfchw4u	281	19	into	into	IN
cord-351222-9bfchw4u	281	20	the	the	DT
cord-351222-9bfchw4u	281	21	pharmacophore	pharmacophore	JJ
cord-351222-9bfchw4u	281	22	model	model	NN
cord-351222-9bfchw4u	281	23	.	.	.
cord-351222-9bfchw4u	282	1	The	the	DT
cord-351222-9bfchw4u	282	2	second	second	JJ
cord-351222-9bfchw4u	282	3	strategy	strategy	NN
cord-351222-9bfchw4u	282	4	focuses	focus	VBZ
cord-351222-9bfchw4u	282	5	on	on	IN
cord-351222-9bfchw4u	282	6	a	a	DT
cord-351222-9bfchw4u	282	7	bioactivity	bioactivity	NN
cord-351222-9bfchw4u	282	8	-	-	HYPH
cord-351222-9bfchw4u	282	9	guided	guide	VBN
cord-351222-9bfchw4u	282	10	fractionation	fractionation	NN
cord-351222-9bfchw4u	282	11	irrespective	irrespective	RB
cord-351222-9bfchw4u	282	12	of	of	IN
cord-351222-9bfchw4u	282	13	the	the	DT
cord-351222-9bfchw4u	282	14	virtual	virtual	JJ
cord-351222-9bfchw4u	282	15	hits	hit	NNS
cord-351222-9bfchw4u	282	16	used	use	VBN
cord-351222-9bfchw4u	282	17	for	for	IN
cord-351222-9bfchw4u	282	18	the	the	DT
cord-351222-9bfchw4u	282	19	selection	selection	NN
cord-351222-9bfchw4u	282	20	of	of	IN
cord-351222-9bfchw4u	282	21	the	the	DT
cord-351222-9bfchw4u	282	22	starting	starting	NN
cord-351222-9bfchw4u	282	23	material	material	NN
cord-351222-9bfchw4u	282	24	.	.	.
cord-351222-9bfchw4u	283	1	Following	follow	VBG
cord-351222-9bfchw4u	283	2	the	the	DT
cord-351222-9bfchw4u	283	3	concept	concept	NN
cord-351222-9bfchw4u	283	4	,	,	,
cord-351222-9bfchw4u	283	5	the	the	DT
cord-351222-9bfchw4u	283	6	finally	finally	RB
cord-351222-9bfchw4u	283	7	isolated	isolate	VBN
cord-351222-9bfchw4u	283	8	active	active	JJ
cord-351222-9bfchw4u	283	9	ingredients	ingredient	NNS
cord-351222-9bfchw4u	283	10	should	should	MD
cord-351222-9bfchw4u	283	11	correspond	correspond	VB
cord-351222-9bfchw4u	283	12	to	to	IN
cord-351222-9bfchw4u	283	13	the	the	DT
cord-351222-9bfchw4u	283	14	predicted	predict	VBN
cord-351222-9bfchw4u	283	15	virtual	virtual	JJ
cord-351222-9bfchw4u	283	16	hits	hit	NNS
cord-351222-9bfchw4u	283	17	.	.	.
cord-351222-9bfchw4u	284	1	This	this	DT
cord-351222-9bfchw4u	284	2	approach	approach	NN
cord-351222-9bfchw4u	284	3	is	be	VBZ
cord-351222-9bfchw4u	284	4	usually	usually	RB
cord-351222-9bfchw4u	284	5	associated	associate	VBN
cord-351222-9bfchw4u	284	6	with	with	IN
cord-351222-9bfchw4u	284	7	higher	high	JJR
cord-351222-9bfchw4u	284	8	phytochemical	phytochemical	JJ
cord-351222-9bfchw4u	284	9	efforts	effort	NNS
cord-351222-9bfchw4u	284	10	and	and	CC
cord-351222-9bfchw4u	284	11	costs	cost	NNS
cord-351222-9bfchw4u	284	12	,	,	,
cord-351222-9bfchw4u	284	13	because	because	IN
cord-351222-9bfchw4u	284	14	it	-PRON-	PRP
cord-351222-9bfchw4u	284	15	requires	require	VBZ
cord-351222-9bfchw4u	284	16	an	an	DT
cord-351222-9bfchw4u	284	17	iterative	iterative	JJ
cord-351222-9bfchw4u	284	18	testing	testing	NN
cord-351222-9bfchw4u	284	19	of	of	IN
cord-351222-9bfchw4u	284	20	all	all	DT
cord-351222-9bfchw4u	284	21	arising	arise	VBG
cord-351222-9bfchw4u	284	22	fractions	fraction	NNS
cord-351222-9bfchw4u	284	23	and	and	CC
cord-351222-9bfchw4u	284	24	sub	sub	NN
cord-351222-9bfchw4u	284	25	-	-	NNS
cord-351222-9bfchw4u	284	26	fractions	fraction	NNS
cord-351222-9bfchw4u	284	27	.	.	.
cord-351222-9bfchw4u	285	1	For	for	IN
cord-351222-9bfchw4u	285	2	the	the	DT
cord-351222-9bfchw4u	285	3	evaluation	evaluation	NN
cord-351222-9bfchw4u	285	4	of	of	IN
cord-351222-9bfchw4u	285	5	all	all	PDT
cord-351222-9bfchw4u	285	6	the	the	DT
cord-351222-9bfchw4u	285	7	bioactive	bioactive	JJ
cord-351222-9bfchw4u	285	8	constituents	constituent	NNS
cord-351222-9bfchw4u	285	9	in	in	IN
cord-351222-9bfchw4u	285	10	detail	detail	NN
cord-351222-9bfchw4u	285	11	and	and	CC
cord-351222-9bfchw4u	285	12	for	for	IN
cord-351222-9bfchw4u	285	13	the	the	DT
cord-351222-9bfchw4u	285	14	discovery	discovery	NN
cord-351222-9bfchw4u	285	15	of	of	IN
cord-351222-9bfchw4u	285	16	possibly	possibly	RB
cord-351222-9bfchw4u	285	17	unknown	unknown	JJ
cord-351222-9bfchw4u	285	18	metabolites	metabolite	NNS
cord-351222-9bfchw4u	285	19	this	this	DT
cord-351222-9bfchw4u	285	20	procedure	procedure	NN
cord-351222-9bfchw4u	285	21	is	be	VBZ
cord-351222-9bfchw4u	285	22	however	however	RB
cord-351222-9bfchw4u	285	23	indispensable	indispensable	JJ
cord-351222-9bfchw4u	285	24	.	.	.
cord-351222-9bfchw4u	286	1	The	the	DT
cord-351222-9bfchw4u	286	2	decision	decision	NN
cord-351222-9bfchw4u	286	3	,	,	,
cord-351222-9bfchw4u	286	4	which	which	WDT
cord-351222-9bfchw4u	286	5	of	of	IN
cord-351222-9bfchw4u	286	6	the	the	DT
cord-351222-9bfchw4u	286	7	presented	present	VBN
cord-351222-9bfchw4u	286	8	ways	way	NNS
cord-351222-9bfchw4u	286	9	is	be	VBZ
cord-351222-9bfchw4u	286	10	the	the	DT
cord-351222-9bfchw4u	286	11	more	more	RBR
cord-351222-9bfchw4u	286	12	appropriate	appropriate	JJ
cord-351222-9bfchw4u	286	13	for	for	IN
cord-351222-9bfchw4u	286	14	the	the	DT
cord-351222-9bfchw4u	286	15	investigation	investigation	NN
cord-351222-9bfchw4u	286	16	at	at	IN
cord-351222-9bfchw4u	286	17	hand	hand	NN
cord-351222-9bfchw4u	286	18	,	,	,
cord-351222-9bfchw4u	286	19	strongly	strongly	RB
cord-351222-9bfchw4u	286	20	depends	depend	VBZ
cord-351222-9bfchw4u	286	21	on	on	IN
cord-351222-9bfchw4u	286	22	the	the	DT
cord-351222-9bfchw4u	286	23	reliability	reliability	NN
cord-351222-9bfchw4u	286	24	and	and	CC
cord-351222-9bfchw4u	286	25	selectivity	selectivity	NN
cord-351222-9bfchw4u	286	26	of	of	IN
cord-351222-9bfchw4u	286	27	the	the	DT
cord-351222-9bfchw4u	286	28	used	use	VBN
cord-351222-9bfchw4u	286	29	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	286	30	model	model	NN
cord-351222-9bfchw4u	286	31	,	,	,
cord-351222-9bfchw4u	286	32	and	and	CC
cord-351222-9bfchw4u	286	33	the	the	DT
cord-351222-9bfchw4u	286	34	costliness	costliness	NN
cord-351222-9bfchw4u	286	35	of	of	IN
cord-351222-9bfchw4u	286	36	the	the	DT
cord-351222-9bfchw4u	286	37	used	used	JJ
cord-351222-9bfchw4u	286	38	assay	assay	NN
cord-351222-9bfchw4u	286	39	.	.	.
cord-351222-9bfchw4u	287	1	The	the	DT
cord-351222-9bfchw4u	287	2	strategy	strategy	NN
cord-351222-9bfchw4u	287	3	schematized	schematize	VBN
cord-351222-9bfchw4u	287	4	in	in	IN
cord-351222-9bfchw4u	287	5	Figure	Figure	NNP
cord-351222-9bfchw4u	287	6	5	5	CD
cord-351222-9bfchw4u	287	7	was	be	VBD
cord-351222-9bfchw4u	287	8	recently	recently	RB
cord-351222-9bfchw4u	287	9	applied	apply	VBN
cord-351222-9bfchw4u	287	10	to	to	IN
cord-351222-9bfchw4u	287	11	a	a	DT
cord-351222-9bfchw4u	287	12	medicinal	medicinal	JJ
cord-351222-9bfchw4u	287	13	plant	plant	NN
cord-351222-9bfchw4u	287	14	with	with	IN
cord-351222-9bfchw4u	287	15	anti	anti	JJ
cord-351222-9bfchw4u	287	16	-	-	JJ
cord-351222-9bfchw4u	287	17	inflammatory	inflammatory	JJ
cord-351222-9bfchw4u	287	18	potential	potential	NN
cord-351222-9bfchw4u	287	19	known	know	VBN
cord-351222-9bfchw4u	287	20	from	from	IN
cord-351222-9bfchw4u	287	21	ethnopharmacological	ethnopharmacological	JJ
cord-351222-9bfchw4u	287	22	sources	source	NNS
cord-351222-9bfchw4u	287	23	[	[	-LRB-
cord-351222-9bfchw4u	287	24	87	87	CD
cord-351222-9bfchw4u	287	25	]	]	-RRB-
cord-351222-9bfchw4u	287	26	.	.	.
cord-351222-9bfchw4u	288	1	From	from	IN
cord-351222-9bfchw4u	288	2	the	the	DT
cord-351222-9bfchw4u	288	3	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	288	4	based	base	VBN
cord-351222-9bfchw4u	288	5	virtual	virtual	JJ
cord-351222-9bfchw4u	288	6	screening	screening	NN
cord-351222-9bfchw4u	288	7	filtering	filter	VBG
cord-351222-9bfchw4u	288	8	experiment	experiment	NN
cord-351222-9bfchw4u	288	9	a	a	DT
cord-351222-9bfchw4u	288	10	number	number	NN
cord-351222-9bfchw4u	288	11	of	of	IN
cord-351222-9bfchw4u	288	12	secondary	secondary	JJ
cord-351222-9bfchw4u	288	13	metabolites	metabolite	NNS
cord-351222-9bfchw4u	288	14	known	know	VBN
cord-351222-9bfchw4u	288	15	from	from	IN
cord-351222-9bfchw4u	288	16	the	the	DT
cord-351222-9bfchw4u	288	17	mulberry	mulberry	NN
cord-351222-9bfchw4u	288	18	tree	tree	NN
cord-351222-9bfchw4u	288	19	complied	comply	VBD
cord-351222-9bfchw4u	288	20	with	with	IN
cord-351222-9bfchw4u	288	21	all	all	PDT
cord-351222-9bfchw4u	288	22	the	the	DT
cord-351222-9bfchw4u	288	23	models	model	NNS
cord-351222-9bfchw4u	288	24	'	'	POS
cord-351222-9bfchw4u	288	25	requirements	requirement	NNS
cord-351222-9bfchw4u	288	26	,	,	,
cord-351222-9bfchw4u	288	27	thus	thus	RB
cord-351222-9bfchw4u	288	28	revealed	reveal	VBN
cord-351222-9bfchw4u	288	29	as	as	IN
cord-351222-9bfchw4u	288	30	virtual	virtual	JJ
cord-351222-9bfchw4u	288	31	hits	hit	NNS
cord-351222-9bfchw4u	288	32	.	.	.
cord-351222-9bfchw4u	289	1	Indeed	indeed	RB
cord-351222-9bfchw4u	289	2	,	,	,
cord-351222-9bfchw4u	289	3	in	in	IN
cord-351222-9bfchw4u	289	4	vitro	vitro	FW
cord-351222-9bfchw4u	289	5	tests	test	NNS
cord-351222-9bfchw4u	289	6	attested	attest	VBD
cord-351222-9bfchw4u	289	7	extracts	extract	NNS
cord-351222-9bfchw4u	289	8	of	of	IN
cord-351222-9bfchw4u	289	9	Morus	Morus	NNP
cord-351222-9bfchw4u	289	10	root	root	NN
cord-351222-9bfchw4u	289	11	bark	bark	NN
cord-351222-9bfchw4u	289	12	a	a	DT
cord-351222-9bfchw4u	289	13	distinct	distinct	JJ
cord-351222-9bfchw4u	289	14	COX	COX	NNP
cord-351222-9bfchw4u	289	15	inhibitory	inhibitory	JJ
cord-351222-9bfchw4u	289	16	potential	potential	NN
cord-351222-9bfchw4u	289	17	.	.	.
cord-351222-9bfchw4u	290	1	The	the	DT
cord-351222-9bfchw4u	290	2	objective	objective	NN
cord-351222-9bfchw4u	290	3	was	be	VBD
cord-351222-9bfchw4u	290	4	to	to	TO
cord-351222-9bfchw4u	290	5	find	find	VB
cord-351222-9bfchw4u	290	6	the	the	DT
cord-351222-9bfchw4u	290	7	active	active	JJ
cord-351222-9bfchw4u	290	8	principles	principle	NNS
cord-351222-9bfchw4u	290	9	from	from	IN
cord-351222-9bfchw4u	290	10	this	this	DT
cord-351222-9bfchw4u	290	11	plant	plant	NN
cord-351222-9bfchw4u	290	12	material	material	NN
cord-351222-9bfchw4u	290	13	applying	apply	VBG
cord-351222-9bfchw4u	290	14	both	both	DT
cord-351222-9bfchw4u	290	15	different	different	JJ
cord-351222-9bfchw4u	290	16	methods	method	NNS
cord-351222-9bfchw4u	290	17	for	for	IN
cord-351222-9bfchw4u	290	18	their	-PRON-	PRP$
cord-351222-9bfchw4u	290	19	discovery	discovery	NN
cord-351222-9bfchw4u	290	20	.	.	.
cord-351222-9bfchw4u	291	1	First	first	RB
cord-351222-9bfchw4u	291	2	,	,	,
cord-351222-9bfchw4u	291	3	the	the	DT
cord-351222-9bfchw4u	291	4	computer	computer	NN
cord-351222-9bfchw4u	291	5	-	-	HYPH
cord-351222-9bfchw4u	291	6	aided	aid	VBN
cord-351222-9bfchw4u	291	7	approach	approach	NN
cord-351222-9bfchw4u	291	8	was	be	VBD
cord-351222-9bfchw4u	291	9	used	use	VBN
cord-351222-9bfchw4u	291	10	to	to	TO
cord-351222-9bfchw4u	291	11	identify	identify	VB
cord-351222-9bfchw4u	291	12	the	the	DT
cord-351222-9bfchw4u	291	13	virtually	virtually	RB
cord-351222-9bfchw4u	291	14	active	active	JJ
cord-351222-9bfchw4u	291	15	compounds	compound	NNS
cord-351222-9bfchw4u	291	16	able	able	JJ
cord-351222-9bfchw4u	291	17	to	to	TO
cord-351222-9bfchw4u	291	18	interact	interact	VB
cord-351222-9bfchw4u	291	19	with	with	IN
cord-351222-9bfchw4u	291	20	the	the	DT
cord-351222-9bfchw4u	291	21	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	291	22	models	model	NNS
cord-351222-9bfchw4u	291	23	for	for	IN
cord-351222-9bfchw4u	291	24	COX-1	cox-1	NN
cord-351222-9bfchw4u	291	25	and	and	CC
cord-351222-9bfchw4u	291	26	-2	-2	NNP
cord-351222-9bfchw4u	291	27	.	.	.
cord-351222-9bfchw4u	292	1	Second	second	RB
cord-351222-9bfchw4u	292	2	,	,	,
cord-351222-9bfchw4u	292	3	the	the	DT
cord-351222-9bfchw4u	292	4	bioactivity	bioactivity	NN
cord-351222-9bfchw4u	292	5	-	-	HYPH
cord-351222-9bfchw4u	292	6	guided	guide	VBN
cord-351222-9bfchw4u	292	7	fractionation	fractionation	NN
cord-351222-9bfchw4u	292	8	was	be	VBD
cord-351222-9bfchw4u	292	9	conducted	conduct	VBN
cord-351222-9bfchw4u	292	10	for	for	IN
cord-351222-9bfchw4u	292	11	the	the	DT
cord-351222-9bfchw4u	292	12	isolation	isolation	NN
cord-351222-9bfchw4u	292	13	of	of	IN
cord-351222-9bfchw4u	292	14	the	the	DT
cord-351222-9bfchw4u	292	15	COX	COX	NNP
cord-351222-9bfchw4u	292	16	-	-	HYPH
cord-351222-9bfchw4u	292	17	inhibiting	inhibit	VBG
cord-351222-9bfchw4u	292	18	constituents	constituent	NNS
cord-351222-9bfchw4u	292	19	.	.	.
cord-351222-9bfchw4u	293	1	This	this	DT
cord-351222-9bfchw4u	293	2	resulted	result	VBD
cord-351222-9bfchw4u	293	3	in	in	IN
cord-351222-9bfchw4u	293	4	the	the	DT
cord-351222-9bfchw4u	293	5	isolation	isolation	NN
cord-351222-9bfchw4u	293	6	of	of	IN
cord-351222-9bfchw4u	293	7	nine	nine	CD
cord-351222-9bfchw4u	293	8	compounds	compound	NNS
cord-351222-9bfchw4u	293	9	belonging	belong	VBG
cord-351222-9bfchw4u	293	10	to	to	IN
cord-351222-9bfchw4u	293	11	the	the	DT
cord-351222-9bfchw4u	293	12	chemical	chemical	JJ
cord-351222-9bfchw4u	293	13	classes	class	NNS
cord-351222-9bfchw4u	293	14	of	of	IN
cord-351222-9bfchw4u	293	15	sanggenons	sanggenon	NNS
cord-351222-9bfchw4u	293	16	and	and	CC
cord-351222-9bfchw4u	293	17	moracins	moracin	NNS
cord-351222-9bfchw4u	293	18	.	.	.
cord-351222-9bfchw4u	294	1	In	in	IN
cord-351222-9bfchw4u	294	2	the	the	DT
cord-351222-9bfchw4u	294	3	enzyme	enzyme	NN
cord-351222-9bfchw4u	294	4	assay	assay	NN
cord-351222-9bfchw4u	294	5	,	,	,
cord-351222-9bfchw4u	294	6	all	all	PDT
cord-351222-9bfchw4u	294	7	the	the	DT
cord-351222-9bfchw4u	294	8	isolates	isolate	NNS
cord-351222-9bfchw4u	294	9	showed	show	VBD
cord-351222-9bfchw4u	294	10	moderate	moderate	JJ
cord-351222-9bfchw4u	294	11	to	to	IN
cord-351222-9bfchw4u	294	12	potent	potent	JJ
cord-351222-9bfchw4u	294	13	inhibitory	inhibitory	JJ
cord-351222-9bfchw4u	294	14	effects	effect	NNS
cord-351222-9bfchw4u	294	15	on	on	IN
cord-351222-9bfchw4u	294	16	COX-1	cox-1	NN
cord-351222-9bfchw4u	294	17	and	and	CC
cord-351222-9bfchw4u	294	18	-2	-2	NNP
cord-351222-9bfchw4u	294	19	.	.	.
cord-351222-9bfchw4u	295	1	When	when	WRB
cord-351222-9bfchw4u	295	2	comparing	compare	VBG
cord-351222-9bfchw4u	295	3	the	the	DT
cord-351222-9bfchw4u	295	4	hits	hit	NNS
cord-351222-9bfchw4u	295	5	of	of	IN
cord-351222-9bfchw4u	295	6	the	the	DT
cord-351222-9bfchw4u	295	7	virtual	virtual	JJ
cord-351222-9bfchw4u	295	8	screening	screening	NN
cord-351222-9bfchw4u	295	9	with	with	IN
cord-351222-9bfchw4u	295	10	the	the	DT
cord-351222-9bfchw4u	295	11	experimental	experimental	JJ
cord-351222-9bfchw4u	295	12	data	datum	NNS
cord-351222-9bfchw4u	295	13	,	,	,
cord-351222-9bfchw4u	295	14	a	a	DT
cord-351222-9bfchw4u	295	15	good	good	JJ
cord-351222-9bfchw4u	295	16	correlation	correlation	NN
cord-351222-9bfchw4u	295	17	between	between	IN
cord-351222-9bfchw4u	295	18	predictions	prediction	NNS
cord-351222-9bfchw4u	295	19	provided	provide	VBN
cord-351222-9bfchw4u	295	20	by	by	IN
cord-351222-9bfchw4u	295	21	the	the	DT
cord-351222-9bfchw4u	295	22	computer	computer	NN
cord-351222-9bfchw4u	295	23	assisted	assist	VBN
cord-351222-9bfchw4u	295	24	method	method	NN
cord-351222-9bfchw4u	295	25	and	and	CC
cord-351222-9bfchw4u	295	26	in	in	IN
cord-351222-9bfchw4u	295	27	vitro	vitro	FW
cord-351222-9bfchw4u	295	28	data	data	NN
cord-351222-9bfchw4u	295	29	could	could	MD
cord-351222-9bfchw4u	295	30	be	be	VB
cord-351222-9bfchw4u	295	31	obtained	obtain	VBN
cord-351222-9bfchw4u	295	32	in	in	IN
cord-351222-9bfchw4u	295	33	the	the	DT
cord-351222-9bfchw4u	295	34	case	case	NN
cord-351222-9bfchw4u	295	35	of	of	IN
cord-351222-9bfchw4u	295	36	the	the	DT
cord-351222-9bfchw4u	295	37	isolated	isolated	JJ
cord-351222-9bfchw4u	295	38	sanggenons	sanggenon	NNS
cord-351222-9bfchw4u	295	39	(	(	-LRB-
cord-351222-9bfchw4u	295	40	e.g.	e.g.	RB
cord-351222-9bfchw4u	295	41	,	,	,
cord-351222-9bfchw4u	295	42	sanggenon	sanggenon	NNP
cord-351222-9bfchw4u	295	43	C	C	NNP
cord-351222-9bfchw4u	295	44	;	;	:
cord-351222-9bfchw4u	295	45	12	12	CD
cord-351222-9bfchw4u	295	46	)	)	-RRB-
cord-351222-9bfchw4u	295	47	.	.	.
cord-351222-9bfchw4u	296	1	However	however	RB
cord-351222-9bfchw4u	296	2	,	,	,
cord-351222-9bfchw4u	296	3	this	this	DT
cord-351222-9bfchw4u	296	4	agreement	agreement	NN
cord-351222-9bfchw4u	296	5	could	could	MD
cord-351222-9bfchw4u	296	6	not	not	RB
cord-351222-9bfchw4u	296	7	be	be	VB
cord-351222-9bfchw4u	296	8	achieved	achieve	VBN
cord-351222-9bfchw4u	296	9	with	with	IN
cord-351222-9bfchw4u	296	10	the	the	DT
cord-351222-9bfchw4u	296	11	moracins	moracin	NNS
cord-351222-9bfchw4u	296	12	(	(	-LRB-
cord-351222-9bfchw4u	296	13	e.g.	e.g.	RB
cord-351222-9bfchw4u	296	14	,	,	,
cord-351222-9bfchw4u	296	15	moracin	moracin	NNS
cord-351222-9bfchw4u	296	16	M	M	NNP
cord-351222-9bfchw4u	296	17	;	;	:
cord-351222-9bfchw4u	296	18	13	13	CD
cord-351222-9bfchw4u	296	19	)	)	-RRB-
cord-351222-9bfchw4u	296	20	.	.	.
cord-351222-9bfchw4u	297	1	In	in	IN
cord-351222-9bfchw4u	297	2	any	any	DT
cord-351222-9bfchw4u	297	3	case	case	NN
cord-351222-9bfchw4u	297	4	the	the	DT
cord-351222-9bfchw4u	297	5	virtual	virtual	JJ
cord-351222-9bfchw4u	297	6	screening	screening	NN
cord-351222-9bfchw4u	297	7	was	be	VBD
cord-351222-9bfchw4u	297	8	particularly	particularly	RB
cord-351222-9bfchw4u	297	9	helpful	helpful	JJ
cord-351222-9bfchw4u	297	10	for	for	IN
cord-351222-9bfchw4u	297	11	the	the	DT
cord-351222-9bfchw4u	297	12	decision	decision	NN
cord-351222-9bfchw4u	297	13	regarding	regard	VBG
cord-351222-9bfchw4u	297	14	which	which	WDT
cord-351222-9bfchw4u	297	15	plant	plant	NN
cord-351222-9bfchw4u	297	16	material	material	NN
cord-351222-9bfchw4u	297	17	is	be	VBZ
cord-351222-9bfchw4u	297	18	worth	worth	JJ
cord-351222-9bfchw4u	297	19	extensive	extensive	JJ
cord-351222-9bfchw4u	297	20	study	study	NN
cord-351222-9bfchw4u	297	21	.	.	.
cord-351222-9bfchw4u	298	1	Furthermore	furthermore	RB
cord-351222-9bfchw4u	298	2	,	,	,
cord-351222-9bfchw4u	298	3	the	the	DT
cord-351222-9bfchw4u	298	4	disclosed	disclose	VBN
cord-351222-9bfchw4u	298	5	interactions	interaction	NNS
cord-351222-9bfchw4u	298	6	of	of	IN
cord-351222-9bfchw4u	298	7	the	the	DT
cord-351222-9bfchw4u	298	8	sanggenons	sanggenon	NNS
cord-351222-9bfchw4u	298	9	with	with	IN
cord-351222-9bfchw4u	298	10	the	the	DT
cord-351222-9bfchw4u	298	11	pharmacophore	pharmacophore	JJ
cord-351222-9bfchw4u	298	12	model	model	NN
cord-351222-9bfchw4u	298	13	-miming	-mime	VBG
cord-351222-9bfchw4u	298	14	the	the	DT
cord-351222-9bfchw4u	298	15	binding	binding	NN
cord-351222-9bfchw4u	298	16	site	site	NN
cord-351222-9bfchw4u	298	17	of	of	IN
cord-351222-9bfchw4u	298	18	the	the	DT
cord-351222-9bfchw4u	298	19	target	target	NN
cord-351222-9bfchw4u	299	1	-provided	-provided	JJ
cord-351222-9bfchw4u	300	1	us	-PRON-	PRP
cord-351222-9bfchw4u	300	2	with	with	IN
cord-351222-9bfchw4u	300	3	some	some	DT
cord-351222-9bfchw4u	300	4	essential	essential	JJ
cord-351222-9bfchw4u	300	5	information	information	NN
cord-351222-9bfchw4u	300	6	about	about	IN
cord-351222-9bfchw4u	300	7	the	the	DT
cord-351222-9bfchw4u	300	8	molecular	molecular	JJ
cord-351222-9bfchw4u	300	9	requirements	requirement	NNS
cord-351222-9bfchw4u	300	10	of	of	IN
cord-351222-9bfchw4u	300	11	COX	COX	NNP
cord-351222-9bfchw4u	300	12	-	-	HYPH
cord-351222-9bfchw4u	300	13	ligands	ligand	NNS
cord-351222-9bfchw4u	300	14	.	.	.
cord-351222-9bfchw4u	301	1	A	a	DT
cord-351222-9bfchw4u	301	2	different	different	JJ
cord-351222-9bfchw4u	301	3	integrated	integrate	VBN
cord-351222-9bfchw4u	301	4	procedure	procedure	NN
cord-351222-9bfchw4u	301	5	is	be	VBZ
cord-351222-9bfchw4u	301	6	schematized	schematize	VBN
cord-351222-9bfchw4u	301	7	in	in	IN
cord-351222-9bfchw4u	301	8	Figure	Figure	NNP
cord-351222-9bfchw4u	301	9	6	6	CD
cord-351222-9bfchw4u	301	10	.	.	.
cord-351222-9bfchw4u	302	1	Applying	apply	VBG
cord-351222-9bfchw4u	302	2	this	this	DT
cord-351222-9bfchw4u	302	3	approach	approach	NN
cord-351222-9bfchw4u	302	4	,	,	,
cord-351222-9bfchw4u	302	5	the	the	DT
cord-351222-9bfchw4u	302	6	pre	pre	NN
cord-351222-9bfchw4u	302	7	-	-	NN
cord-351222-9bfchw4u	302	8	selection	selection	NN
cord-351222-9bfchw4u	302	9	of	of	IN
cord-351222-9bfchw4u	302	10	the	the	DT
cord-351222-9bfchw4u	302	11	natural	natural	JJ
cord-351222-9bfchw4u	302	12	material	material	NN
cord-351222-9bfchw4u	302	13	is	be	VBZ
cord-351222-9bfchw4u	302	14	not	not	RB
cord-351222-9bfchw4u	302	15	guided	guide	VBN
cord-351222-9bfchw4u	302	16	by	by	IN
cord-351222-9bfchw4u	302	17	virtual	virtual	JJ
cord-351222-9bfchw4u	302	18	prediction	prediction	NN
cord-351222-9bfchw4u	302	19	;	;	:
cord-351222-9bfchw4u	302	20	but	but	CC
cord-351222-9bfchw4u	302	21	a	a	DT
cord-351222-9bfchw4u	302	22	number	number	NN
cord-351222-9bfchw4u	302	23	of	of	IN
cord-351222-9bfchw4u	302	24	extracts	extract	NNS
cord-351222-9bfchw4u	302	25	is	be	VBZ
cord-351222-9bfchw4u	302	26	roughly	roughly	RB
cord-351222-9bfchw4u	302	27	screened	screen	VBN
cord-351222-9bfchw4u	302	28	with	with	IN
cord-351222-9bfchw4u	302	29	a	a	DT
cord-351222-9bfchw4u	302	30	bioassay	bioassay	NN
cord-351222-9bfchw4u	302	31	to	to	TO
cord-351222-9bfchw4u	302	32	identify	identify	VB
cord-351222-9bfchw4u	302	33	the	the	DT
cord-351222-9bfchw4u	302	34	active	active	JJ
cord-351222-9bfchw4u	302	35	ones	one	NNS
cord-351222-9bfchw4u	302	36	.	.	.
cord-351222-9bfchw4u	303	1	A	a	DT
cord-351222-9bfchw4u	303	2	similar	similar	JJ
cord-351222-9bfchw4u	303	3	strategy	strategy	NN
cord-351222-9bfchw4u	303	4	is	be	VBZ
cord-351222-9bfchw4u	303	5	to	to	TO
cord-351222-9bfchw4u	303	6	collect	collect	VB
cord-351222-9bfchw4u	303	7	information	information	NN
cord-351222-9bfchw4u	303	8	about	about	IN
cord-351222-9bfchw4u	303	9	the	the	DT
cord-351222-9bfchw4u	303	10	traditional	traditional	JJ
cord-351222-9bfchw4u	303	11	application	application	NN
cord-351222-9bfchw4u	303	12	of	of	IN
cord-351222-9bfchw4u	303	13	natural	natural	JJ
cord-351222-9bfchw4u	303	14	preparations	preparation	NNS
cord-351222-9bfchw4u	303	15	in	in	IN
cord-351222-9bfchw4u	303	16	the	the	DT
cord-351222-9bfchw4u	303	17	field	field	NN
cord-351222-9bfchw4u	303	18	of	of	IN
cord-351222-9bfchw4u	303	19	the	the	DT
cord-351222-9bfchw4u	303	20	focused	focused	JJ
cord-351222-9bfchw4u	303	21	pharmacological	pharmacological	JJ
cord-351222-9bfchw4u	303	22	target	target	NN
cord-351222-9bfchw4u	303	23	.	.	.
cord-351222-9bfchw4u	304	1	A	a	DT
cord-351222-9bfchw4u	304	2	3D	3d	JJ
cord-351222-9bfchw4u	304	3	database	database	NN
cord-351222-9bfchw4u	304	4	is	be	VBZ
cord-351222-9bfchw4u	304	5	then	then	RB
cord-351222-9bfchw4u	304	6	generated	generate	VBN
cord-351222-9bfchw4u	304	7	consisting	consist	VBG
cord-351222-9bfchw4u	304	8	of	of	IN
cord-351222-9bfchw4u	304	9	all	all	PDT
cord-351222-9bfchw4u	304	10	the	the	DT
cord-351222-9bfchw4u	304	11	metabolites	metabolite	NNS
cord-351222-9bfchw4u	304	12	known	know	VBN
cord-351222-9bfchw4u	304	13	from	from	IN
cord-351222-9bfchw4u	304	14	literature	literature	NN
cord-351222-9bfchw4u	304	15	to	to	TO
cord-351222-9bfchw4u	304	16	be	be	VB
cord-351222-9bfchw4u	304	17	included	include	VBN
cord-351222-9bfchw4u	304	18	in	in	IN
cord-351222-9bfchw4u	304	19	that	that	DT
cord-351222-9bfchw4u	304	20	extract	extract	NN
cord-351222-9bfchw4u	304	21	/	/	SYM
cord-351222-9bfchw4u	304	22	s	s	NN
cord-351222-9bfchw4u	304	23	that	that	WDT
cord-351222-9bfchw4u	304	24	came	come	VBD
cord-351222-9bfchw4u	304	25	off	off	RP
cord-351222-9bfchw4u	304	26	well	well	RB
cord-351222-9bfchw4u	304	27	.	.	.
cord-351222-9bfchw4u	305	1	Likewise	likewise	RB
cord-351222-9bfchw4u	305	2	,	,	,
cord-351222-9bfchw4u	305	3	ethnopharmacological	ethnopharmacological	JJ
cord-351222-9bfchw4u	305	4	knowledge	knowledge	NN
cord-351222-9bfchw4u	305	5	about	about	IN
cord-351222-9bfchw4u	305	6	useful	useful	JJ
cord-351222-9bfchw4u	305	7	preparations	preparation	NNS
cord-351222-9bfchw4u	305	8	from	from	IN
cord-351222-9bfchw4u	305	9	nature	nature	NN
cord-351222-9bfchw4u	305	10	may	may	MD
cord-351222-9bfchw4u	305	11	guide	guide	VB
cord-351222-9bfchw4u	305	12	the	the	DT
cord-351222-9bfchw4u	305	13	selection	selection	NN
cord-351222-9bfchw4u	305	14	of	of	IN
cord-351222-9bfchw4u	305	15	NPs	NPs	NNPS
cord-351222-9bfchw4u	305	16	.	.	.
cord-351222-9bfchw4u	306	1	The	the	DT
cord-351222-9bfchw4u	306	2	resulting	result	VBG
cord-351222-9bfchw4u	306	3	biased	biased	JJ
cord-351222-9bfchw4u	306	4	database	database	NN
cord-351222-9bfchw4u	306	5	is	be	VBZ
cord-351222-9bfchw4u	306	6	virtually	virtually	RB
cord-351222-9bfchw4u	306	7	screened	screen	VBN
cord-351222-9bfchw4u	306	8	with	with	IN
cord-351222-9bfchw4u	306	9	an	an	DT
cord-351222-9bfchw4u	306	10	established	establish	VBN
cord-351222-9bfchw4u	306	11	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	306	12	model	model	NN
cord-351222-9bfchw4u	306	13	of	of	IN
cord-351222-9bfchw4u	306	14	the	the	DT
cord-351222-9bfchw4u	306	15	aiming	aim	VBG
cord-351222-9bfchw4u	306	16	target	target	NN
cord-351222-9bfchw4u	306	17	.	.	.
cord-351222-9bfchw4u	307	1	The	the	DT
cord-351222-9bfchw4u	307	2	impact	impact	NN
cord-351222-9bfchw4u	307	3	of	of	IN
cord-351222-9bfchw4u	307	4	ethnopharmacology	ethnopharmacology	NN
cord-351222-9bfchw4u	307	5	has	have	VBZ
cord-351222-9bfchw4u	307	6	been	be	VBN
cord-351222-9bfchw4u	307	7	analyzed	analyze	VBN
cord-351222-9bfchw4u	307	8	in	in	IN
cord-351222-9bfchw4u	307	9	a	a	DT
cord-351222-9bfchw4u	307	10	previous	previous	JJ
cord-351222-9bfchw4u	307	11	study	study	NN
cord-351222-9bfchw4u	307	12	from	from	IN
cord-351222-9bfchw4u	307	13	our	-PRON-	PRP$
cord-351222-9bfchw4u	307	14	group	group	NN
cord-351222-9bfchw4u	307	15	;	;	:
cord-351222-9bfchw4u	307	16	there	there	RB
cord-351222-9bfchw4u	307	17	we	-PRON-	PRP
cord-351222-9bfchw4u	307	18	investigated	investigate	VBD
cord-351222-9bfchw4u	307	19	the	the	DT
cord-351222-9bfchw4u	307	20	statistical	statistical	JJ
cord-351222-9bfchw4u	307	21	evidence	evidence	NN
cord-351222-9bfchw4u	307	22	considering	consider	VBG
cord-351222-9bfchw4u	307	23	hints	hint	NNS
cord-351222-9bfchw4u	307	24	from	from	IN
cord-351222-9bfchw4u	307	25	folk	folk	NN
cord-351222-9bfchw4u	307	26	medicine	medicine	NN
cord-351222-9bfchw4u	307	27	for	for	IN
cord-351222-9bfchw4u	307	28	the	the	DT
cord-351222-9bfchw4u	307	29	discovery	discovery	NN
cord-351222-9bfchw4u	307	30	of	of	IN
cord-351222-9bfchw4u	307	31	anti	anti	JJ
cord-351222-9bfchw4u	307	32	-	-	JJ
cord-351222-9bfchw4u	307	33	inflammatory	inflammatory	JJ
cord-351222-9bfchw4u	307	34	NPs	NPs	NNPS
cord-351222-9bfchw4u	307	35	utilizing	utilize	VBG
cord-351222-9bfchw4u	307	36	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	307	37	-	-	HYPH
cord-351222-9bfchw4u	307	38	based	base	VBN
cord-351222-9bfchw4u	307	39	virtual	virtual	JJ
cord-351222-9bfchw4u	307	40	screening	screening	NN
cord-351222-9bfchw4u	307	41	techniques	technique	NNS
cord-351222-9bfchw4u	307	42	[	[	-LRB-
cord-351222-9bfchw4u	307	43	81	81	CD
cord-351222-9bfchw4u	307	44	]	]	-RRB-
cord-351222-9bfchw4u	307	45	.	.	.
cord-351222-9bfchw4u	308	1	COX-1	cox-1	JJ
cord-351222-9bfchw4u	308	2	and	and	CC
cord-351222-9bfchw4u	308	3	-2	-2	NNP
cord-351222-9bfchw4u	308	4	were	be	VBD
cord-351222-9bfchw4u	308	5	used	use	VBN
cord-351222-9bfchw4u	308	6	as	as	IN
cord-351222-9bfchw4u	308	7	preferential	preferential	JJ
cord-351222-9bfchw4u	308	8	targets	target	NNS
cord-351222-9bfchw4u	308	9	,	,	,
cord-351222-9bfchw4u	308	10	since	since	IN
cord-351222-9bfchw4u	308	11	they	-PRON-	PRP
cord-351222-9bfchw4u	308	12	are	be	VBP
cord-351222-9bfchw4u	308	13	key	key	JJ
cord-351222-9bfchw4u	308	14	enzymes	enzyme	NNS
cord-351222-9bfchw4u	308	15	in	in	IN
cord-351222-9bfchw4u	308	16	the	the	DT
cord-351222-9bfchw4u	308	17	inflammation	inflammation	NN
cord-351222-9bfchw4u	308	18	process	process	NN
cord-351222-9bfchw4u	308	19	.	.	.
cord-351222-9bfchw4u	309	1	Dioscorides	Dioscorides	NNP
cord-351222-9bfchw4u	309	2	'	'	POS
cord-351222-9bfchw4u	309	3	de	de	FW
cord-351222-9bfchw4u	309	4	materia	materia	FW
cord-351222-9bfchw4u	309	5	medica	medica	NNP
cord-351222-9bfchw4u	309	6	,	,	,
cord-351222-9bfchw4u	309	7	which	which	WDT
cord-351222-9bfchw4u	309	8	was	be	VBD
cord-351222-9bfchw4u	309	9	written	write	VBN
cord-351222-9bfchw4u	309	10	in	in	IN
cord-351222-9bfchw4u	309	11	the	the	DT
cord-351222-9bfchw4u	309	12	1st	1st	JJ
cord-351222-9bfchw4u	309	13	Century	Century	NNP
cord-351222-9bfchw4u	309	14	AD	AD	NNP
cord-351222-9bfchw4u	309	15	,	,	,
cord-351222-9bfchw4u	309	16	was	be	VBD
cord-351222-9bfchw4u	309	17	used	use	VBN
cord-351222-9bfchw4u	309	18	as	as	IN
cord-351222-9bfchw4u	309	19	the	the	DT
cord-351222-9bfchw4u	309	20	ethno	ethno	JJ
cord-351222-9bfchw4u	309	21	-	-	HYPH
cord-351222-9bfchw4u	309	22	pharmacological	pharmacological	JJ
cord-351222-9bfchw4u	309	23	source	source	NN
cord-351222-9bfchw4u	309	24	.	.	.
cord-351222-9bfchw4u	310	1	Secondary	secondary	JJ
cord-351222-9bfchw4u	310	2	metabolites	metabolite	NNS
cord-351222-9bfchw4u	310	3	of	of	IN
cord-351222-9bfchw4u	310	4	those	those	DT
cord-351222-9bfchw4u	310	5	medicinal	medicinal	JJ
cord-351222-9bfchw4u	310	6	plants	plant	NNS
cord-351222-9bfchw4u	310	7	,	,	,
cord-351222-9bfchw4u	310	8	which	which	WDT
cord-351222-9bfchw4u	310	9	Dioscorides	Dioscorides	NNP
cord-351222-9bfchw4u	310	10	described	describe	VBD
cord-351222-9bfchw4u	310	11	as	as	IN
cord-351222-9bfchw4u	310	12	active	active	JJ
cord-351222-9bfchw4u	310	13	against	against	IN
cord-351222-9bfchw4u	310	14	fever	fever	NN
cord-351222-9bfchw4u	310	15	,	,	,
cord-351222-9bfchw4u	310	16	rheumatism	rheumatism	NN
cord-351222-9bfchw4u	310	17	,	,	,
cord-351222-9bfchw4u	310	18	pain	pain	NN
cord-351222-9bfchw4u	310	19	and	and	CC
cord-351222-9bfchw4u	310	20	pus	pus	NN
cord-351222-9bfchw4u	310	21	were	be	VBD
cord-351222-9bfchw4u	310	22	stored	store	VBN
cord-351222-9bfchw4u	310	23	in	in	IN
cord-351222-9bfchw4u	310	24	a	a	DT
cord-351222-9bfchw4u	310	25	multiconformational	multiconformational	JJ
cord-351222-9bfchw4u	310	26	3D	3D	NNP
cord-351222-9bfchw4u	310	27	database	database	NN
cord-351222-9bfchw4u	310	28	.	.	.
cord-351222-9bfchw4u	311	1	This	this	DT
cord-351222-9bfchw4u	311	2	was	be	VBD
cord-351222-9bfchw4u	311	3	virtually	virtually	RB
cord-351222-9bfchw4u	311	4	screened	screen	VBN
cord-351222-9bfchw4u	311	5	against	against	IN
cord-351222-9bfchw4u	311	6	the	the	DT
cord-351222-9bfchw4u	311	7	validated	validate	VBN
cord-351222-9bfchw4u	311	8	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	311	9	models	model	NNS
cord-351222-9bfchw4u	311	10	.	.	.
cord-351222-9bfchw4u	312	1	The	the	DT
cord-351222-9bfchw4u	312	2	resulted	resulted	JJ
cord-351222-9bfchw4u	312	3	hit	hit	NN
cord-351222-9bfchw4u	312	4	list	list	NN
cord-351222-9bfchw4u	312	5	was	be	VBD
cord-351222-9bfchw4u	312	6	analyzed	analyze	VBN
cord-351222-9bfchw4u	312	7	and	and	CC
cord-351222-9bfchw4u	312	8	compared	compare	VBN
cord-351222-9bfchw4u	312	9	with	with	IN
cord-351222-9bfchw4u	312	10	those	those	DT
cord-351222-9bfchw4u	312	11	obtained	obtain	VBN
cord-351222-9bfchw4u	312	12	by	by	IN
cord-351222-9bfchw4u	312	13	screening	screen	VBG
cord-351222-9bfchw4u	312	14	unbiased	unbiased	JJ
cord-351222-9bfchw4u	312	15	databases	database	NNS
cord-351222-9bfchw4u	312	16	of	of	IN
cord-351222-9bfchw4u	312	17	natural	natural	JJ
cord-351222-9bfchw4u	312	18	as	as	RB
cord-351222-9bfchw4u	312	19	well	well	RB
cord-351222-9bfchw4u	312	20	as	as	IN
cord-351222-9bfchw4u	312	21	of	of	IN
cord-351222-9bfchw4u	312	22	synthetic	synthetic	JJ
cord-351222-9bfchw4u	312	23	origin	origin	NN
cord-351222-9bfchw4u	312	24	.	.	.
cord-351222-9bfchw4u	313	1	The	the	DT
cord-351222-9bfchw4u	313	2	effectiveness	effectiveness	NN
cord-351222-9bfchw4u	313	3	of	of	IN
cord-351222-9bfchw4u	313	4	an	an	DT
cord-351222-9bfchw4u	313	5	ethnopharmacological	ethnopharmacological	JJ
cord-351222-9bfchw4u	313	6	approach	approach	NN
cord-351222-9bfchw4u	313	7	could	could	MD
cord-351222-9bfchw4u	313	8	be	be	VB
cord-351222-9bfchw4u	313	9	statistically	statistically	RB
cord-351222-9bfchw4u	313	10	demonstrated	demonstrate	VBN
cord-351222-9bfchw4u	313	11	by	by	IN
cord-351222-9bfchw4u	313	12	obtaining	obtain	VBG
cord-351222-9bfchw4u	313	13	a	a	DT
cord-351222-9bfchw4u	313	14	significantly	significantly	RB
cord-351222-9bfchw4u	313	15	higher	high	JJR
cord-351222-9bfchw4u	313	16	hit	hit	VBN
cord-351222-9bfchw4u	313	17	rate	rate	NN
cord-351222-9bfchw4u	313	18	compared	compare	VBN
cord-351222-9bfchw4u	313	19	to	to	IN
cord-351222-9bfchw4u	313	20	the	the	DT
cord-351222-9bfchw4u	313	21	hit	hit	VBN
cord-351222-9bfchw4u	313	22	rates	rate	NNS
cord-351222-9bfchw4u	313	23	of	of	IN
cord-351222-9bfchw4u	313	24	the	the	DT
cord-351222-9bfchw4u	313	25	unbiased	unbiased	JJ
cord-351222-9bfchw4u	313	26	natural	natural	NN
cord-351222-9bfchw4u	313	27	as	as	RB
cord-351222-9bfchw4u	313	28	well	well	RB
cord-351222-9bfchw4u	313	29	as	as	IN
cord-351222-9bfchw4u	313	30	synthetic	synthetic	JJ
cord-351222-9bfchw4u	313	31	databases	database	NNS
cord-351222-9bfchw4u	313	32	.	.	.
cord-351222-9bfchw4u	314	1	Following	follow	VBG
cord-351222-9bfchw4u	314	2	this	this	DT
cord-351222-9bfchw4u	314	3	strategy	strategy	NN
cord-351222-9bfchw4u	314	4	the	the	DT
cord-351222-9bfchw4u	314	5	putative	putative	JJ
cord-351222-9bfchw4u	314	6	hits	hit	NNS
cord-351222-9bfchw4u	314	7	may	may	MD
cord-351222-9bfchw4u	314	8	then	then	RB
cord-351222-9bfchw4u	314	9	be	be	VB
cord-351222-9bfchw4u	314	10	identified	identify	VBN
cord-351222-9bfchw4u	314	11	by	by	IN
cord-351222-9bfchw4u	314	12	modern	modern	JJ
cord-351222-9bfchw4u	314	13	analytical	analytical	JJ
cord-351222-9bfchw4u	314	14	tools	tool	NNS
cord-351222-9bfchw4u	314	15	like	like	IN
cord-351222-9bfchw4u	314	16	LC	LC	NNP
cord-351222-9bfchw4u	314	17	-	-	HYPH
cord-351222-9bfchw4u	314	18	MS	MS	NNP
cord-351222-9bfchw4u	314	19	or	or	CC
cord-351222-9bfchw4u	314	20	LC	LC	NNP
cord-351222-9bfchw4u	314	21	-	-	HYPH
cord-351222-9bfchw4u	314	22	NMR	NMR	NNP
cord-351222-9bfchw4u	314	23	to	to	TO
cord-351222-9bfchw4u	314	24	isolate	isolate	VB
cord-351222-9bfchw4u	314	25	them	-PRON-	PRP
cord-351222-9bfchw4u	314	26	from	from	IN
cord-351222-9bfchw4u	314	27	the	the	DT
cord-351222-9bfchw4u	314	28	natural	natural	JJ
cord-351222-9bfchw4u	314	29	matrix	matrix	NN
cord-351222-9bfchw4u	314	30	in	in	IN
cord-351222-9bfchw4u	314	31	a	a	DT
cord-351222-9bfchw4u	314	32	target	target	NN
cord-351222-9bfchw4u	314	33	-	-	HYPH
cord-351222-9bfchw4u	314	34	oriented	orient	VBN
cord-351222-9bfchw4u	314	35	way	way	NN
cord-351222-9bfchw4u	314	36	for	for	IN
cord-351222-9bfchw4u	314	37	pharmacological	pharmacological	JJ
cord-351222-9bfchw4u	314	38	testing	testing	NN
cord-351222-9bfchw4u	314	39	.	.	.
cord-351222-9bfchw4u	315	1	This	this	DT
cord-351222-9bfchw4u	315	2	approach	approach	NN
cord-351222-9bfchw4u	315	3	is	be	VBZ
cord-351222-9bfchw4u	315	4	especially	especially	RB
cord-351222-9bfchw4u	315	5	helpful	helpful	JJ
cord-351222-9bfchw4u	315	6	for	for	IN
cord-351222-9bfchw4u	315	7	intricate	intricate	JJ
cord-351222-9bfchw4u	315	8	pharmacological	pharmacological	JJ
cord-351222-9bfchw4u	315	9	assays	assay	NNS
cord-351222-9bfchw4u	315	10	,	,	,
cord-351222-9bfchw4u	315	11	which	which	WDT
cord-351222-9bfchw4u	315	12	would	would	MD
cord-351222-9bfchw4u	315	13	turn	turn	VB
cord-351222-9bfchw4u	315	14	a	a	DT
cord-351222-9bfchw4u	315	15	bioguided	bioguided	JJ
cord-351222-9bfchw4u	315	16	fractionation	fractionation	NN
cord-351222-9bfchw4u	315	17	into	into	IN
cord-351222-9bfchw4u	315	18	an	an	DT
cord-351222-9bfchw4u	315	19	unrealistic	unrealistic	JJ
cord-351222-9bfchw4u	315	20	endeavor	endeavor	NN
cord-351222-9bfchw4u	315	21	.	.	.
cord-351222-9bfchw4u	316	1	A	a	DT
cord-351222-9bfchw4u	316	2	combination	combination	NN
cord-351222-9bfchw4u	316	3	of	of	IN
cord-351222-9bfchw4u	316	4	an	an	DT
cord-351222-9bfchw4u	316	5	ethnopharmacologically	ethnopharmacologically	RB
cord-351222-9bfchw4u	316	6	based	base	VBN
cord-351222-9bfchw4u	316	7	pre	pre	NN
cord-351222-9bfchw4u	316	8	-	-	NN
cord-351222-9bfchw4u	316	9	selection	selection	NN
cord-351222-9bfchw4u	316	10	of	of	IN
cord-351222-9bfchw4u	316	11	plant	plant	NN
cord-351222-9bfchw4u	316	12	material	material	NN
cord-351222-9bfchw4u	316	13	and	and	CC
cord-351222-9bfchw4u	316	14	a	a	DT
cord-351222-9bfchw4u	316	15	computational	computational	JJ
cord-351222-9bfchw4u	316	16	approach	approach	NN
cord-351222-9bfchw4u	316	17	was	be	VBD
cord-351222-9bfchw4u	316	18	reported	report	VBN
cord-351222-9bfchw4u	316	19	by	by	IN
cord-351222-9bfchw4u	316	20	Bernard	Bernard	NNP
cord-351222-9bfchw4u	316	21	and	and	CC
cord-351222-9bfchw4u	316	22	co	co	NNS
cord-351222-9bfchw4u	316	23	-	-	NNS
cord-351222-9bfchw4u	316	24	workers	worker	NNS
cord-351222-9bfchw4u	316	25	,	,	,
cord-351222-9bfchw4u	316	26	who	who	WP
cord-351222-9bfchw4u	316	27	used	use	VBD
cord-351222-9bfchw4u	316	28	this	this	DT
cord-351222-9bfchw4u	316	29	strategy	strategy	NN
cord-351222-9bfchw4u	316	30	to	to	TO
cord-351222-9bfchw4u	316	31	rationalize	rationalize	VB
cord-351222-9bfchw4u	316	32	a	a	DT
cord-351222-9bfchw4u	316	33	phytochemical	phytochemical	JJ
cord-351222-9bfchw4u	316	34	lead	lead	NN
cord-351222-9bfchw4u	316	35	discovery	discovery	NN
cord-351222-9bfchw4u	316	36	[	[	-LRB-
cord-351222-9bfchw4u	316	37	88	88	CD
cord-351222-9bfchw4u	316	38	]	]	-RRB-
cord-351222-9bfchw4u	316	39	.	.	.
cord-351222-9bfchw4u	317	1	Starting	start	VBG
cord-351222-9bfchw4u	317	2	with	with	IN
cord-351222-9bfchw4u	317	3	an	an	DT
cord-351222-9bfchw4u	317	4	in	in	FW
cord-351222-9bfchw4u	317	5	vitro	vitro	FW
cord-351222-9bfchw4u	317	6	screening	screening	NN
cord-351222-9bfchw4u	317	7	on	on	IN
cord-351222-9bfchw4u	317	8	phospholipase	phospholipase	NN
cord-351222-9bfchw4u	317	9	A	a	DT
cord-351222-9bfchw4u	317	10	2	2	CD
cord-351222-9bfchw4u	317	11	performed	perform	VBN
cord-351222-9bfchw4u	317	12	with	with	IN
cord-351222-9bfchw4u	317	13	traditionally	traditionally	RB
cord-351222-9bfchw4u	317	14	used	use	VBN
cord-351222-9bfchw4u	317	15	anti	anti	JJ
cord-351222-9bfchw4u	317	16	-	-	JJ
cord-351222-9bfchw4u	317	17	inflammatory	inflammatory	JJ
cord-351222-9bfchw4u	317	18	plant	plant	NN
cord-351222-9bfchw4u	317	19	extracts	extract	NNS
cord-351222-9bfchw4u	317	20	,	,	,
cord-351222-9bfchw4u	317	21	a	a	DT
cord-351222-9bfchw4u	317	22	focused	focused	JJ
cord-351222-9bfchw4u	317	23	structural	structural	JJ
cord-351222-9bfchw4u	317	24	database	database	NN
cord-351222-9bfchw4u	317	25	was	be	VBD
cord-351222-9bfchw4u	317	26	generated	generate	VBN
cord-351222-9bfchw4u	317	27	and	and	CC
cord-351222-9bfchw4u	317	28	virtually	virtually	RB
cord-351222-9bfchw4u	317	29	screened	screen	VBN
cord-351222-9bfchw4u	317	30	on	on	IN
cord-351222-9bfchw4u	317	31	an	an	DT
cord-351222-9bfchw4u	317	32	established	establish	VBN
cord-351222-9bfchw4u	317	33	ligand	ligand	NN
cord-351222-9bfchw4u	317	34	-	-	HYPH
cord-351222-9bfchw4u	317	35	based	base	VBN
cord-351222-9bfchw4u	317	36	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	317	37	model	model	NN
cord-351222-9bfchw4u	317	38	for	for	IN
cord-351222-9bfchw4u	318	1	human	human	JJ
cord-351222-9bfchw4u	318	2	non	non	JJ
cord-351222-9bfchw4u	318	3	-	-	JJ
cord-351222-9bfchw4u	318	4	pancreatic	pancreatic	JJ
cord-351222-9bfchw4u	318	5	phospholipase	phospholipase	NN
cord-351222-9bfchw4u	318	6	A	a	DT
cord-351222-9bfchw4u	318	7	2	2	CD
cord-351222-9bfchw4u	318	8	.	.	.
cord-351222-9bfchw4u	319	1	The	the	DT
cord-351222-9bfchw4u	319	2	combination	combination	NN
cord-351222-9bfchw4u	319	3	of	of	IN
cord-351222-9bfchw4u	319	4	experimental	experimental	JJ
cord-351222-9bfchw4u	319	5	data	datum	NNS
cord-351222-9bfchw4u	319	6	with	with	IN
cord-351222-9bfchw4u	319	7	database	database	NN
cord-351222-9bfchw4u	319	8	exploitation	exploitation	NN
cord-351222-9bfchw4u	319	9	and	and	CC
cord-351222-9bfchw4u	319	10	molecular	molecular	JJ
cord-351222-9bfchw4u	319	11	modeling	modeling	NN
cord-351222-9bfchw4u	319	12	resulted	result	VBD
cord-351222-9bfchw4u	319	13	in	in	IN
cord-351222-9bfchw4u	319	14	the	the	DT
cord-351222-9bfchw4u	319	15	efficient	efficient	JJ
cord-351222-9bfchw4u	319	16	identification	identification	NN
cord-351222-9bfchw4u	319	17	of	of	IN
cord-351222-9bfchw4u	319	18	betulin	betulin	NNP
cord-351222-9bfchw4u	319	19	(	(	-LRB-
cord-351222-9bfchw4u	319	20	14	14	CD
cord-351222-9bfchw4u	319	21	)	)	-RRB-
cord-351222-9bfchw4u	319	22	and	and	CC
cord-351222-9bfchw4u	319	23	betulinic	betulinic	JJ
cord-351222-9bfchw4u	319	24	acid	acid	NN
cord-351222-9bfchw4u	319	25	(	(	-LRB-
cord-351222-9bfchw4u	319	26	15	15	CD
cord-351222-9bfchw4u	319	27	)	)	-RRB-
cord-351222-9bfchw4u	319	28	as	as	IN
cord-351222-9bfchw4u	319	29	extract	extract	NN
cord-351222-9bfchw4u	319	30	ingredients	ingredient	NNS
cord-351222-9bfchw4u	319	31	with	with	IN
cord-351222-9bfchw4u	319	32	distinct	distinct	JJ
cord-351222-9bfchw4u	319	33	anti	anti	JJ
cord-351222-9bfchw4u	319	34	-	-	JJ
cord-351222-9bfchw4u	319	35	inflammatory	inflammatory	JJ
cord-351222-9bfchw4u	319	36	in	in	IN
cord-351222-9bfchw4u	319	37	vitro	vitro	FW
cord-351222-9bfchw4u	319	38	effects	effect	NNS
cord-351222-9bfchw4u	319	39	.	.	.
cord-351222-9bfchw4u	320	1	The	the	DT
cord-351222-9bfchw4u	320	2	combination	combination	NN
cord-351222-9bfchw4u	320	3	of	of	IN
cord-351222-9bfchw4u	320	4	the	the	DT
cord-351222-9bfchw4u	320	5	two	two	CD
cord-351222-9bfchw4u	320	6	different	different	JJ
cord-351222-9bfchw4u	320	7	,	,	,
cord-351222-9bfchw4u	320	8	but	but	CC
cord-351222-9bfchw4u	320	9	complementary	complementary	JJ
cord-351222-9bfchw4u	320	10	strategies	strategy	NNS
cord-351222-9bfchw4u	320	11	consisting	consist	VBG
cord-351222-9bfchw4u	320	12	of	of	IN
cord-351222-9bfchw4u	320	13	in	in	FW
cord-351222-9bfchw4u	320	14	vitro	vitro	FW
cord-351222-9bfchw4u	320	15	screens	screen	NNS
cord-351222-9bfchw4u	320	16	and	and	CC
cord-351222-9bfchw4u	320	17	in	in	IN
cord-351222-9bfchw4u	320	18	silico	silico	NN
cord-351222-9bfchw4u	320	19	assessment	assessment	NN
cord-351222-9bfchw4u	320	20	has	have	VBZ
cord-351222-9bfchw4u	320	21	recently	recently	RB
cord-351222-9bfchw4u	320	22	been	be	VBN
cord-351222-9bfchw4u	320	23	described	describe	VBN
cord-351222-9bfchw4u	320	24	by	by	IN
cord-351222-9bfchw4u	320	25	van	van	NNP
cord-351222-9bfchw4u	320	26	de	de	FW
cord-351222-9bfchw4u	320	27	Waterbeemd	Waterbeemd	NNP
cord-351222-9bfchw4u	320	28	[	[	-LRB-
cord-351222-9bfchw4u	320	29	89	89	CD
cord-351222-9bfchw4u	320	30	]	]	-RRB-
cord-351222-9bfchw4u	320	31	.	.	.
cord-351222-9bfchw4u	321	1	He	-PRON-	PRP
cord-351222-9bfchw4u	321	2	labeled	label	VBD
cord-351222-9bfchw4u	321	3	this	this	DT
cord-351222-9bfchw4u	321	4	method	method	NN
cord-351222-9bfchw4u	321	5	as	as	IN
cord-351222-9bfchw4u	321	6	'	'	''
cord-351222-9bfchw4u	321	7	in	in	IN
cord-351222-9bfchw4u	321	8	combo	combo	NN
cord-351222-9bfchw4u	321	9	'	'	''
cord-351222-9bfchw4u	321	10	approach	approach	NN
cord-351222-9bfchw4u	321	11	and	and	CC
cord-351222-9bfchw4u	321	12	used	use	VBD
cord-351222-9bfchw4u	321	13	it	-PRON-	PRP
cord-351222-9bfchw4u	321	14	for	for	IN
cord-351222-9bfchw4u	321	15	the	the	DT
cord-351222-9bfchw4u	321	16	straight	straight	JJ
cord-351222-9bfchw4u	321	17	forward	forward	JJ
cord-351222-9bfchw4u	321	18	access	access	NN
cord-351222-9bfchw4u	321	19	of	of	IN
cord-351222-9bfchw4u	321	20	various	various	JJ
cord-351222-9bfchw4u	321	21	ADME	ADME	NNP
cord-351222-9bfchw4u	321	22	properties	property	NNS
cord-351222-9bfchw4u	321	23	.	.	.
cord-351222-9bfchw4u	322	1	The	the	DT
cord-351222-9bfchw4u	322	2	application	application	NN
cord-351222-9bfchw4u	322	3	of	of	IN
cord-351222-9bfchw4u	322	4	the	the	DT
cord-351222-9bfchw4u	322	5	'	'	''
cord-351222-9bfchw4u	322	6	in	in	IN
cord-351222-9bfchw4u	322	7	combo	combo	NN
cord-351222-9bfchw4u	322	8	'	'	''
cord-351222-9bfchw4u	322	9	approach	approach	NN
cord-351222-9bfchw4u	322	10	for	for	IN
cord-351222-9bfchw4u	322	11	the	the	DT
cord-351222-9bfchw4u	322	12	discovery	discovery	NN
cord-351222-9bfchw4u	322	13	of	of	IN
cord-351222-9bfchw4u	322	14	NPs	NPs	NNP
cord-351222-9bfchw4u	322	15	has	have	VBZ
cord-351222-9bfchw4u	322	16	recently	recently	RB
cord-351222-9bfchw4u	322	17	been	be	VBN
cord-351222-9bfchw4u	322	18	tested	test	VBN
cord-351222-9bfchw4u	322	19	in	in	IN
cord-351222-9bfchw4u	322	20	our	-PRON-	PRP$
cord-351222-9bfchw4u	322	21	group	group	NN
cord-351222-9bfchw4u	322	22	by	by	IN
cord-351222-9bfchw4u	322	23	the	the	DT
cord-351222-9bfchw4u	322	24	search	search	NN
cord-351222-9bfchw4u	322	25	of	of	IN
cord-351222-9bfchw4u	322	26	natural	natural	JJ
cord-351222-9bfchw4u	322	27	acetylcholinesterase	acetylcholinesterase	NN
cord-351222-9bfchw4u	322	28	inhibitors	inhibitor	NNS
cord-351222-9bfchw4u	322	29	[	[	-LRB-
cord-351222-9bfchw4u	322	30	90	90	CD
cord-351222-9bfchw4u	322	31	]	]	-RRB-
cord-351222-9bfchw4u	322	32	.	.	.
cord-351222-9bfchw4u	323	1	In	in	IN
cord-351222-9bfchw4u	323	2	a	a	DT
cord-351222-9bfchw4u	323	3	medium	medium	JJ
cord-351222-9bfchw4u	323	4	-	-	HYPH
cord-351222-9bfchw4u	323	5	sized	sized	JJ
cord-351222-9bfchw4u	323	6	throughput	throughput	NN
cord-351222-9bfchw4u	323	7	screening	screen	VBG
cord-351222-9bfchw4u	323	8	about	about	RB
cord-351222-9bfchw4u	323	9	100	100	CD
cord-351222-9bfchw4u	323	10	plant	plant	NN
cord-351222-9bfchw4u	323	11	extracts	extract	NNS
cord-351222-9bfchw4u	323	12	were	be	VBD
cord-351222-9bfchw4u	323	13	investigated	investigate	VBN
cord-351222-9bfchw4u	323	14	using	use	VBG
cord-351222-9bfchw4u	323	15	an	an	DT
cord-351222-9bfchw4u	323	16	acetylcholinesterase	acetylcholinesterase	NN
cord-351222-9bfchw4u	323	17	enzyme	enzyme	NN
cord-351222-9bfchw4u	323	18	test	test	NN
cord-351222-9bfchw4u	323	19	.	.	.
cord-351222-9bfchw4u	324	1	From	from	IN
cord-351222-9bfchw4u	324	2	the	the	DT
cord-351222-9bfchw4u	324	3	sample	sample	NN
cord-351222-9bfchw4u	324	4	showing	show	VBG
cord-351222-9bfchw4u	324	5	the	the	DT
cord-351222-9bfchw4u	324	6	best	good	JJS
cord-351222-9bfchw4u	324	7	inhibitory	inhibitory	JJ
cord-351222-9bfchw4u	324	8	activity	activity	NN
cord-351222-9bfchw4u	324	9	,	,	,
cord-351222-9bfchw4u	324	10	all	all	PDT
cord-351222-9bfchw4u	324	11	the	the	DT
cord-351222-9bfchw4u	324	12	known	know	VBN
cord-351222-9bfchw4u	324	13	secondary	secondary	JJ
cord-351222-9bfchw4u	324	14	metabolites	metabolite	NNS
cord-351222-9bfchw4u	324	15	were	be	VBD
cord-351222-9bfchw4u	324	16	fed	feed	VBN
cord-351222-9bfchw4u	324	17	into	into	IN
cord-351222-9bfchw4u	324	18	a	a	DT
cord-351222-9bfchw4u	324	19	small	small	JJ
cord-351222-9bfchw4u	324	20	3D	3d	JJ
cord-351222-9bfchw4u	324	21	multiconformational	multiconformational	JJ
cord-351222-9bfchw4u	324	22	database	database	NN
cord-351222-9bfchw4u	324	23	and	and	CC
cord-351222-9bfchw4u	324	24	subsequently	subsequently	RB
cord-351222-9bfchw4u	324	25	subjected	subject	VBD
cord-351222-9bfchw4u	324	26	to	to	IN
cord-351222-9bfchw4u	324	27	a	a	DT
cord-351222-9bfchw4u	324	28	virtual	virtual	JJ
cord-351222-9bfchw4u	324	29	screening	screening	NN
cord-351222-9bfchw4u	324	30	on	on	IN
cord-351222-9bfchw4u	324	31	a	a	DT
cord-351222-9bfchw4u	324	32	generated	generate	VBN
cord-351222-9bfchw4u	324	33	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	324	34	model	model	NN
cord-351222-9bfchw4u	324	35	.	.	.
cord-351222-9bfchw4u	325	1	The	the	DT
cord-351222-9bfchw4u	325	2	efficacy	efficacy	NN
cord-351222-9bfchw4u	325	3	of	of	IN
cord-351222-9bfchw4u	325	4	this	this	DT
cord-351222-9bfchw4u	325	5	procedure	procedure	NN
cord-351222-9bfchw4u	325	6	could	could	MD
cord-351222-9bfchw4u	325	7	be	be	VB
cord-351222-9bfchw4u	325	8	confirmed	confirm	VBN
cord-351222-9bfchw4u	325	9	by	by	IN
cord-351222-9bfchw4u	325	10	the	the	DT
cord-351222-9bfchw4u	325	11	isolation	isolation	NN
cord-351222-9bfchw4u	325	12	of	of	IN
cord-351222-9bfchw4u	325	13	the	the	DT
cord-351222-9bfchw4u	325	14	obtained	obtain	VBN
cord-351222-9bfchw4u	325	15	virtual	virtual	JJ
cord-351222-9bfchw4u	325	16	hits	hit	NNS
cord-351222-9bfchw4u	325	17	,	,	,
cord-351222-9bfchw4u	325	18	i.e.	i.e.	FW
cord-351222-9bfchw4u	325	19	,	,	,
cord-351222-9bfchw4u	325	20	8-deoxylactucin	8-deoxylactucin	CD
cord-351222-9bfchw4u	325	21	(	(	-LRB-
cord-351222-9bfchw4u	325	22	16	16	CD
cord-351222-9bfchw4u	325	23	)	)	-RRB-
cord-351222-9bfchw4u	325	24	and	and	CC
cord-351222-9bfchw4u	325	25	lactucopicrine	lactucopicrine	NNP
cord-351222-9bfchw4u	325	26	(	(	-LRB-
cord-351222-9bfchw4u	325	27	17	17	CD
cord-351222-9bfchw4u	325	28	)	)	-RRB-
cord-351222-9bfchw4u	325	29	.	.	.
cord-351222-9bfchw4u	326	1	They	-PRON-	PRP
cord-351222-9bfchw4u	326	2	showed	show	VBD
cord-351222-9bfchw4u	326	3	a	a	DT
cord-351222-9bfchw4u	326	4	significant	significant	JJ
cord-351222-9bfchw4u	326	5	and	and	CC
cord-351222-9bfchw4u	326	6	dose	dose	NN
cord-351222-9bfchw4u	326	7	-	-	HYPH
cord-351222-9bfchw4u	326	8	dependent	dependent	JJ
cord-351222-9bfchw4u	326	9	inhibitory	inhibitory	JJ
cord-351222-9bfchw4u	326	10	effect	effect	NN
cord-351222-9bfchw4u	326	11	in	in	IN
cord-351222-9bfchw4u	326	12	the	the	DT
cord-351222-9bfchw4u	326	13	enzyme	enzyme	NN
cord-351222-9bfchw4u	326	14	assay	assay	NN
cord-351222-9bfchw4u	326	15	.	.	.
cord-351222-9bfchw4u	327	1	Methods	method	NNS
cord-351222-9bfchw4u	327	2	and	and	CC
cord-351222-9bfchw4u	327	3	expectations	expectation	NNS
cord-351222-9bfchw4u	327	4	of	of	IN
cord-351222-9bfchw4u	327	5	this	this	DT
cord-351222-9bfchw4u	327	6	integrated	integrated	JJ
cord-351222-9bfchw4u	327	7	virtual	virtual	JJ
cord-351222-9bfchw4u	327	8	screening	screening	NN
cord-351222-9bfchw4u	327	9	concept	concept	NN
cord-351222-9bfchw4u	327	10	have	have	VBP
cord-351222-9bfchw4u	327	11	previously	previously	RB
cord-351222-9bfchw4u	327	12	been	be	VBN
cord-351222-9bfchw4u	327	13	discussed	discuss	VBN
cord-351222-9bfchw4u	327	14	in	in	IN
cord-351222-9bfchw4u	327	15	detail	detail	NN
cord-351222-9bfchw4u	327	16	by	by	IN
cord-351222-9bfchw4u	327	17	J.	J.	NNP
cord-351222-9bfchw4u	327	18	Bajorath	Bajorath	NNP
cord-351222-9bfchw4u	327	19	[	[	-LRB-
cord-351222-9bfchw4u	327	20	91	91	CD
cord-351222-9bfchw4u	327	21	,	,	,
cord-351222-9bfchw4u	327	22	92	92	CD
cord-351222-9bfchw4u	327	23	]	]	-RRB-
cord-351222-9bfchw4u	327	24	with	with	IN
cord-351222-9bfchw4u	327	25	the	the	DT
cord-351222-9bfchw4u	327	26	author	author	NN
cord-351222-9bfchw4u	327	27	's	's	POS
cord-351222-9bfchw4u	327	28	final	final	JJ
cord-351222-9bfchw4u	327	29	statement	statement	NN
cord-351222-9bfchw4u	327	30	that	that	IN
cord-351222-9bfchw4u	327	31	'	'	''
cord-351222-9bfchw4u	327	32	a	a	DT
cord-351222-9bfchw4u	327	33	meaningful	meaningful	JJ
cord-351222-9bfchw4u	327	34	integration	integration	NN
cord-351222-9bfchw4u	327	35	of	of	IN
cord-351222-9bfchw4u	327	36	virtual	virtual	JJ
cord-351222-9bfchw4u	327	37	and	and	CC
cord-351222-9bfchw4u	327	38	experimental	experimental	JJ
cord-351222-9bfchw4u	327	39	screening	screening	NN
cord-351222-9bfchw4u	327	40	programs	program	NNS
cord-351222-9bfchw4u	327	41	,	,	,
cord-351222-9bfchw4u	327	42	together	together	RB
cord-351222-9bfchw4u	327	43	with	with	IN
cord-351222-9bfchw4u	327	44	lessons	lesson	NNS
cord-351222-9bfchw4u	327	45	to	to	TO
cord-351222-9bfchw4u	327	46	be	be	VB
cord-351222-9bfchw4u	327	47	learned	learn	VBN
cord-351222-9bfchw4u	327	48	from	from	IN
cord-351222-9bfchw4u	327	49	structural	structural	JJ
cord-351222-9bfchw4u	327	50	genomics	genomic	NNS
cord-351222-9bfchw4u	327	51	,	,	,
cord-351222-9bfchw4u	327	52	holds	hold	VBZ
cord-351222-9bfchw4u	327	53	great	great	JJ
cord-351222-9bfchw4u	327	54	promise	promise	NN
cord-351222-9bfchw4u	327	55	for	for	IN
cord-351222-9bfchw4u	327	56	more	more	RBR
cord-351222-9bfchw4u	327	57	rapid	rapid	JJ
cord-351222-9bfchw4u	327	58	and	and	CC
cord-351222-9bfchw4u	327	59	consistent	consistent	JJ
cord-351222-9bfchw4u	327	60	identification	identification	NN
cord-351222-9bfchw4u	327	61	of	of	IN
cord-351222-9bfchw4u	327	62	high	high	JJ
cord-351222-9bfchw4u	327	63	quality	quality	NN
cord-351222-9bfchw4u	327	64	hits	hit	NNS
cord-351222-9bfchw4u	327	65	or	or	CC
cord-351222-9bfchw4u	327	66	leads	lead	VBZ
cord-351222-9bfchw4u	327	67	across	across	IN
cord-351222-9bfchw4u	327	68	divers	diver	NNS
cord-351222-9bfchw4u	327	69	classes	class	NNS
cord-351222-9bfchw4u	327	70	of	of	IN
cord-351222-9bfchw4u	327	71	therapeutic	therapeutic	JJ
cord-351222-9bfchw4u	327	72	targets	target	NNS
cord-351222-9bfchw4u	327	73	'	'	''
cord-351222-9bfchw4u	327	74	.	.	.
cord-351222-9bfchw4u	328	1	Though	though	IN
cord-351222-9bfchw4u	328	2	this	this	DT
cord-351222-9bfchw4u	328	3	conclusion	conclusion	NN
cord-351222-9bfchw4u	328	4	was	be	VBD
cord-351222-9bfchw4u	328	5	not	not	RB
cord-351222-9bfchw4u	328	6	particularly	particularly	RB
cord-351222-9bfchw4u	328	7	coined	coin	VBN
cord-351222-9bfchw4u	328	8	to	to	IN
cord-351222-9bfchw4u	328	9	NPs	NPs	NNP
cord-351222-9bfchw4u	328	10	,	,	,
cord-351222-9bfchw4u	328	11	it	-PRON-	PRP
cord-351222-9bfchw4u	328	12	comes	come	VBZ
cord-351222-9bfchw4u	328	13	especially	especially	RB
cord-351222-9bfchw4u	328	14	true	true	JJ
cord-351222-9bfchw4u	328	15	in	in	IN
cord-351222-9bfchw4u	328	16	the	the	DT
cord-351222-9bfchw4u	328	17	rich	rich	JJ
cord-351222-9bfchw4u	328	18	world	world	NN
cord-351222-9bfchw4u	328	19	of	of	IN
cord-351222-9bfchw4u	328	20	secondary	secondary	JJ
cord-351222-9bfchw4u	328	21	metabolites	metabolite	NNS
cord-351222-9bfchw4u	328	22	.	.	.
cord-351222-9bfchw4u	329	1	Further	further	RB
cord-351222-9bfchw4u	329	2	hybridized	hybridize	VBN
cord-351222-9bfchw4u	329	3	computational	computational	JJ
cord-351222-9bfchw4u	329	4	strategies	strategy	NNS
cord-351222-9bfchw4u	329	5	are	be	VBP
cord-351222-9bfchw4u	329	6	quite	quite	RB
cord-351222-9bfchw4u	329	7	sensible	sensible	JJ
cord-351222-9bfchw4u	329	8	to	to	TO
cord-351222-9bfchw4u	329	9	get	get	VB
cord-351222-9bfchw4u	329	10	an	an	DT
cord-351222-9bfchw4u	329	11	improved	improved	JJ
cord-351222-9bfchw4u	329	12	understanding	understanding	NN
cord-351222-9bfchw4u	329	13	of	of	IN
cord-351222-9bfchw4u	329	14	ligand	ligand	NN
cord-351222-9bfchw4u	329	15	-	-	HYPH
cord-351222-9bfchw4u	329	16	target	target	NN
cord-351222-9bfchw4u	329	17	interactions	interaction	NNS
cord-351222-9bfchw4u	329	18	.	.	.
cord-351222-9bfchw4u	330	1	In	in	IN
cord-351222-9bfchw4u	330	2	the	the	DT
cord-351222-9bfchw4u	330	3	following	follow	VBG
cord-351222-9bfchw4u	330	4	two	two	CD
cord-351222-9bfchw4u	330	5	examples	example	NNS
cord-351222-9bfchw4u	330	6	docking	docking	NN
cord-351222-9bfchw4u	330	7	protocols	protocol	NNS
cord-351222-9bfchw4u	330	8	helped	help	VBD
cord-351222-9bfchw4u	330	9	enlighten	enlighten	VB
cord-351222-9bfchw4u	330	10	the	the	DT
cord-351222-9bfchw4u	330	11	molecular	molecular	JJ
cord-351222-9bfchw4u	330	12	mechanism	mechanism	NN
cord-351222-9bfchw4u	330	13	of	of	IN
cord-351222-9bfchw4u	330	14	bioactive	bioactive	JJ
cord-351222-9bfchw4u	330	15	natural	natural	JJ
cord-351222-9bfchw4u	330	16	compounds	compound	NNS
cord-351222-9bfchw4u	330	17	.	.	.
cord-351222-9bfchw4u	331	1	Chimenti	Chimenti	NNP
cord-351222-9bfchw4u	331	2	and	and	CC
cord-351222-9bfchw4u	331	3	co	co	NNS
cord-351222-9bfchw4u	331	4	-	-	NNS
cord-351222-9bfchw4u	331	5	authors	author	NNS
cord-351222-9bfchw4u	331	6	isolated	isolate	VBN
cord-351222-9bfchw4u	331	7	quercetin	quercetin	NNS
cord-351222-9bfchw4u	331	8	(	(	-LRB-
cord-351222-9bfchw4u	331	9	18	18	CD
cord-351222-9bfchw4u	331	10	)	)	-RRB-
cord-351222-9bfchw4u	331	11	among	among	IN
cord-351222-9bfchw4u	331	12	other	other	JJ
cord-351222-9bfchw4u	331	13	secondary	secondary	JJ
cord-351222-9bfchw4u	331	14	metabolites	metabolite	NNS
cord-351222-9bfchw4u	331	15	from	from	IN
cord-351222-9bfchw4u	331	16	the	the	DT
cord-351222-9bfchw4u	331	17	Mediterra	Mediterra	NNP
cord-351222-9bfchw4u	331	18	-	-	HYPH
cord-351222-9bfchw4u	331	19	nean	nean	NNP
cord-351222-9bfchw4u	331	20	shrub	shrub	NN
cord-351222-9bfchw4u	331	21	Hypericum	Hypericum	NNP
cord-351222-9bfchw4u	331	22	hircinum	hircinum	NN
cord-351222-9bfchw4u	331	23	and	and	CC
cord-351222-9bfchw4u	331	24	identified	identify	VBD
cord-351222-9bfchw4u	331	25	this	this	DT
cord-351222-9bfchw4u	331	26	flavonol	flavonol	NN
cord-351222-9bfchw4u	331	27	as	as	IN
cord-351222-9bfchw4u	331	28	selective	selective	JJ
cord-351222-9bfchw4u	331	29	inhibitor	inhibitor	NN
cord-351222-9bfchw4u	331	30	of	of	IN
cord-351222-9bfchw4u	331	31	the	the	DT
cord-351222-9bfchw4u	331	32	MAO	MAO	NNP
cord-351222-9bfchw4u	331	33	-	-	HYPH
cord-351222-9bfchw4u	331	34	A	A	NNP
cord-351222-9bfchw4u	331	35	with	with	IN
cord-351222-9bfchw4u	331	36	an	an	DT
cord-351222-9bfchw4u	331	37	activity	activity	NN
cord-351222-9bfchw4u	331	38	in	in	IN
cord-351222-9bfchw4u	331	39	the	the	DT
cord-351222-9bfchw4u	331	40	nanomolar	nanomolar	JJ
cord-351222-9bfchw4u	331	41	range	range	NN
cord-351222-9bfchw4u	331	42	(	(	-LRB-
cord-351222-9bfchw4u	331	43	IC	IC	NNP
cord-351222-9bfchw4u	331	44	50	50	CD
cord-351222-9bfchw4u	331	45	=	=	SYM
cord-351222-9bfchw4u	331	46	10	10	CD
cord-351222-9bfchw4u	331	47	nM	nm	NN
cord-351222-9bfchw4u	331	48	)	)	-RRB-
cord-351222-9bfchw4u	332	1	[	[	-LRB-
cord-351222-9bfchw4u	332	2	93	93	CD
cord-351222-9bfchw4u	332	3	]	]	-RRB-
cord-351222-9bfchw4u	332	4	.	.	.
cord-351222-9bfchw4u	333	1	For	for	IN
cord-351222-9bfchw4u	333	2	a	a	DT
cord-351222-9bfchw4u	333	3	more	more	RBR
cord-351222-9bfchw4u	333	4	comprehensive	comprehensive	JJ
cord-351222-9bfchw4u	333	5	understanding	understanding	NN
cord-351222-9bfchw4u	333	6	of	of	IN
cord-351222-9bfchw4u	333	7	the	the	DT
cord-351222-9bfchw4u	333	8	underlying	underlying	JJ
cord-351222-9bfchw4u	333	9	molecular	molecular	JJ
cord-351222-9bfchw4u	333	10	selectivity	selectivity	NN
cord-351222-9bfchw4u	333	11	,	,	,
cord-351222-9bfchw4u	333	12	conformation	conformation	NN
cord-351222-9bfchw4u	333	13	analysis	analysis	NN
cord-351222-9bfchw4u	333	14	and	and	CC
cord-351222-9bfchw4u	333	15	docking	docking	NN
cord-351222-9bfchw4u	333	16	simulations	simulation	NNS
cord-351222-9bfchw4u	333	17	were	be	VBD
cord-351222-9bfchw4u	333	18	performed	perform	VBN
cord-351222-9bfchw4u	333	19	using	use	VBG
cord-351222-9bfchw4u	333	20	the	the	DT
cord-351222-9bfchw4u	333	21	most	most	RBS
cord-351222-9bfchw4u	333	22	recent	recent	JJ
cord-351222-9bfchw4u	333	23	crystallographic	crystallographic	JJ
cord-351222-9bfchw4u	333	24	structures	structure	NNS
cord-351222-9bfchw4u	333	25	of	of	IN
cord-351222-9bfchw4u	333	26	both	both	DT
cord-351222-9bfchw4u	333	27	human	human	JJ
cord-351222-9bfchw4u	333	28	isoforms	isoform	NNS
cord-351222-9bfchw4u	333	29	MAO	MAO	NNP
cord-351222-9bfchw4u	333	30	-	-	HYPH
cord-351222-9bfchw4u	333	31	A	A	NNP
cord-351222-9bfchw4u	333	32	and	and	CC
cord-351222-9bfchw4u	333	33	MAO	MAO	NNP
cord-351222-9bfchw4u	333	34	-	-	HYPH
cord-351222-9bfchw4u	333	35	B.	B.	NNP
cord-351222-9bfchw4u	334	1	This	this	DT
cord-351222-9bfchw4u	334	2	enabled	enable	VBD
cord-351222-9bfchw4u	334	3	the	the	DT
cord-351222-9bfchw4u	334	4	authors	author	NNS
cord-351222-9bfchw4u	334	5	to	to	TO
cord-351222-9bfchw4u	334	6	identify	identify	VB
cord-351222-9bfchw4u	334	7	the	the	DT
cord-351222-9bfchw4u	334	8	most	most	RBS
cord-351222-9bfchw4u	334	9	important	important	JJ
cord-351222-9bfchw4u	334	10	interactions	interaction	NNS
cord-351222-9bfchw4u	334	11	between	between	IN
cord-351222-9bfchw4u	334	12	the	the	DT
cord-351222-9bfchw4u	334	13	residues	residue	NNS
cord-351222-9bfchw4u	334	14	and	and	CC
cord-351222-9bfchw4u	334	15	the	the	DT
cord-351222-9bfchw4u	334	16	cofactor	cofactor	NN
cord-351222-9bfchw4u	334	17	within	within	IN
cord-351222-9bfchw4u	334	18	the	the	DT
cord-351222-9bfchw4u	334	19	enzymatic	enzymatic	JJ
cord-351222-9bfchw4u	334	20	cleft	cleft	NN
cord-351222-9bfchw4u	334	21	.	.	.
cord-351222-9bfchw4u	335	1	The	the	DT
cord-351222-9bfchw4u	335	2	estimated	estimate	VBN
cord-351222-9bfchw4u	335	3	free	free	JJ
cord-351222-9bfchw4u	335	4	energies	energy	NNS
cord-351222-9bfchw4u	335	5	of	of	IN
cord-351222-9bfchw4u	335	6	complexation	complexation	NN
cord-351222-9bfchw4u	335	7	were	be	VBD
cord-351222-9bfchw4u	335	8	in	in	IN
cord-351222-9bfchw4u	335	9	agreement	agreement	NN
cord-351222-9bfchw4u	335	10	with	with	IN
cord-351222-9bfchw4u	335	11	experimental	experimental	JJ
cord-351222-9bfchw4u	335	12	data	datum	NNS
cord-351222-9bfchw4u	335	13	and	and	CC
cord-351222-9bfchw4u	335	14	confirmed	confirm	VBD
cord-351222-9bfchw4u	335	15	the	the	DT
cord-351222-9bfchw4u	335	16	distinct	distinct	JJ
cord-351222-9bfchw4u	335	17	preference	preference	NN
cord-351222-9bfchw4u	335	18	for	for	IN
cord-351222-9bfchw4u	335	19	the	the	DT
cord-351222-9bfchw4u	335	20	MAO	MAO	NNP
cord-351222-9bfchw4u	335	21	-	-	HYPH
cord-351222-9bfchw4u	335	22	A	A	NNP
cord-351222-9bfchw4u	335	23	cleft	cleft	NN
cord-351222-9bfchw4u	335	24	with	with	IN
cord-351222-9bfchw4u	335	25	more	more	RBR
cord-351222-9bfchw4u	335	26	intermolecular	intermolecular	JJ
cord-351222-9bfchw4u	335	27	hydrogen	hydrogen	NN
cord-351222-9bfchw4u	335	28	bonds	bond	NNS
cord-351222-9bfchw4u	335	29	and	and	CC
cord-351222-9bfchw4u	335	30	-interactions	-interaction	NNS
cord-351222-9bfchw4u	335	31	.	.	.
cord-351222-9bfchw4u	336	1	The	the	DT
cord-351222-9bfchw4u	336	2	goal	goal	NN
cord-351222-9bfchw4u	336	3	of	of	IN
cord-351222-9bfchw4u	336	4	a	a	DT
cord-351222-9bfchw4u	336	5	recent	recent	JJ
cord-351222-9bfchw4u	336	6	in	in	IN
cord-351222-9bfchw4u	336	7	-	-	HYPH
cord-351222-9bfchw4u	336	8	house	house	NN
cord-351222-9bfchw4u	336	9	study	study	NN
cord-351222-9bfchw4u	336	10	was	be	VBD
cord-351222-9bfchw4u	336	11	to	to	TO
cord-351222-9bfchw4u	336	12	rationalize	rationalize	VB
cord-351222-9bfchw4u	336	13	the	the	DT
cord-351222-9bfchw4u	336	14	binding	bind	VBG
cord-351222-9bfchw4u	336	15	interaction	interaction	NN
cord-351222-9bfchw4u	336	16	of	of	IN
cord-351222-9bfchw4u	336	17	the	the	DT
cord-351222-9bfchw4u	336	18	protoalkaloid	protoalkaloid	NNP
cord-351222-9bfchw4u	336	19	taspine	taspine	NNP
cord-351222-9bfchw4u	336	20	(	(	-LRB-
cord-351222-9bfchw4u	336	21	19	19	CD
cord-351222-9bfchw4u	336	22	)	)	-RRB-
cord-351222-9bfchw4u	336	23	within	within	IN
cord-351222-9bfchw4u	336	24	acetylcholinesterase	acetylcholinesterase	NN
cord-351222-9bfchw4u	336	25	.	.	.
cord-351222-9bfchw4u	337	1	Taspine	Taspine	NNP
cord-351222-9bfchw4u	337	2	was	be	VBD
cord-351222-9bfchw4u	337	3	isolated	isolate	VBN
cord-351222-9bfchw4u	337	4	in	in	IN
cord-351222-9bfchw4u	337	5	a	a	DT
cord-351222-9bfchw4u	337	6	bioactivity	bioactivity	NN
cord-351222-9bfchw4u	337	7	-	-	HYPH
cord-351222-9bfchw4u	337	8	guided	guide	VBN
cord-351222-9bfchw4u	337	9	manner	manner	NN
cord-351222-9bfchw4u	337	10	from	from	IN
cord-351222-9bfchw4u	337	11	Magnolia	Magnolia	NNP
cord-351222-9bfchw4u	337	12	x	x	SYM
cord-351222-9bfchw4u	337	13	soulangiana	soulangiana	NNP
cord-351222-9bfchw4u	337	14	and	and	CC
cord-351222-9bfchw4u	337	15	revealed	reveal	VBN
cord-351222-9bfchw4u	337	16	as	as	IN
cord-351222-9bfchw4u	337	17	selective	selective	JJ
cord-351222-9bfchw4u	337	18	inhibitor	inhibitor	NN
cord-351222-9bfchw4u	337	19	of	of	IN
cord-351222-9bfchw4u	337	20	acetylcholinesterase	acetylcholinesterase	NN
cord-351222-9bfchw4u	337	21	with	with	IN
cord-351222-9bfchw4u	337	22	a	a	DT
cord-351222-9bfchw4u	337	23	significantly	significantly	RB
cord-351222-9bfchw4u	337	24	higher	high	JJR
cord-351222-9bfchw4u	337	25	effect	effect	NN
cord-351222-9bfchw4u	337	26	than	than	IN
cord-351222-9bfchw4u	337	27	the	the	DT
cord-351222-9bfchw4u	337	28	positive	positive	JJ
cord-351222-9bfchw4u	337	29	control	control	NN
cord-351222-9bfchw4u	337	30	galanthamine	galanthamine	NNP
cord-351222-9bfchw4u	337	31	(	(	-LRB-
cord-351222-9bfchw4u	337	32	20	20	CD
cord-351222-9bfchw4u	337	33	;	;	:
cord-351222-9bfchw4u	337	34	IC	IC	NNP
cord-351222-9bfchw4u	337	35	50	50	CD
cord-351222-9bfchw4u	337	36	=	=	SYM
cord-351222-9bfchw4u	337	37	0.33	0.33	CD
cord-351222-9bfchw4u	337	38	±	±	CD
cord-351222-9bfchw4u	337	39	0.07	0.07	CD
cord-351222-9bfchw4u	337	40	µM	µM	NNP
cord-351222-9bfchw4u	337	41	)	)	-RRB-
cord-351222-9bfchw4u	337	42	.	.	.
cord-351222-9bfchw4u	338	1	Extensive	extensive	JJ
cord-351222-9bfchw4u	338	2	molecular	molecular	JJ
cord-351222-9bfchw4u	338	3	docking	docking	NN
cord-351222-9bfchw4u	338	4	studies	study	NNS
cord-351222-9bfchw4u	338	5	were	be	VBD
cord-351222-9bfchw4u	338	6	performed	perform	VBN
cord-351222-9bfchw4u	338	7	with	with	IN
cord-351222-9bfchw4u	338	8	human	human	JJ
cord-351222-9bfchw4u	338	9	and	and	CC
cord-351222-9bfchw4u	338	10	Torpedo	Torpedo	NNP
cord-351222-9bfchw4u	338	11	californica	californica	NN
cord-351222-9bfchw4u	338	12	-	-	HYPH
cord-351222-9bfchw4u	338	13	acetylcholinesterase	acetylcholinesterase	NN
cord-351222-9bfchw4u	338	14	employing	employ	VBG
cord-351222-9bfchw4u	338	15	Gold	gold	NN
cord-351222-9bfchw4u	338	16	software	software	NN
cord-351222-9bfchw4u	338	17	(	(	-LRB-
cord-351222-9bfchw4u	338	18	Vers	Vers	NNP
cord-351222-9bfchw4u	338	19	.	.	.
cord-351222-9bfchw4u	339	1	3.1	3.1	LS
cord-351222-9bfchw4u	339	2	;	;	:
cord-351222-9bfchw4u	339	3	www.ccdc.cam.ac.uk/products/life_sciences/gold/	www.ccdc.cam.ac.uk/products/life_sciences/gold/	ADD
cord-351222-9bfchw4u	339	4	)	)	-RRB-
cord-351222-9bfchw4u	339	5	.	.	.
cord-351222-9bfchw4u	340	1	The	the	DT
cord-351222-9bfchw4u	340	2	results	result	NNS
cord-351222-9bfchw4u	340	3	suggested	suggest	VBD
cord-351222-9bfchw4u	340	4	taspine	taspine	NN
cord-351222-9bfchw4u	340	5	to	to	TO
cord-351222-9bfchw4u	340	6	bind	bind	VB
cord-351222-9bfchw4u	340	7	in	in	RP
cord-351222-9bfchw4u	340	8	an	an	DT
cord-351222-9bfchw4u	340	9	alternative	alternative	JJ
cord-351222-9bfchw4u	340	10	binding	bind	VBG
cord-351222-9bfchw4u	340	11	orientation	orientation	NN
cord-351222-9bfchw4u	340	12	than	than	IN
cord-351222-9bfchw4u	340	13	galanthamine	galanthamine	JJ
cord-351222-9bfchw4u	340	14	[	[	-LRB-
cord-351222-9bfchw4u	340	15	94	94	CD
cord-351222-9bfchw4u	340	16	]	]	-RRB-
cord-351222-9bfchw4u	340	17	.	.	.
cord-351222-9bfchw4u	341	1	While	while	IN
cord-351222-9bfchw4u	341	2	this	this	DT
cord-351222-9bfchw4u	341	3	is	be	VBZ
cord-351222-9bfchw4u	341	4	located	locate	VBN
cord-351222-9bfchw4u	341	5	in	in	IN
cord-351222-9bfchw4u	341	6	close	close	JJ
cord-351222-9bfchw4u	341	7	vicinity	vicinity	NN
cord-351222-9bfchw4u	341	8	to	to	IN
cord-351222-9bfchw4u	341	9	the	the	DT
cord-351222-9bfchw4u	341	10	catalytic	catalytic	JJ
cord-351222-9bfchw4u	341	11	amino	amino	NN
cord-351222-9bfchw4u	341	12	acid	acid	NN
cord-351222-9bfchw4u	341	13	triad	triad	NNP
cord-351222-9bfchw4u	341	14	,	,	,
cord-351222-9bfchw4u	341	15	taspine	taspine	NNP
cord-351222-9bfchw4u	341	16	was	be	VBD
cord-351222-9bfchw4u	341	17	found	find	VBN
cord-351222-9bfchw4u	341	18	to	to	TO
cord-351222-9bfchw4u	341	19	be	be	VB
cord-351222-9bfchw4u	341	20	mainly	mainly	RB
cord-351222-9bfchw4u	341	21	stabilized	stabilize	VBN
cord-351222-9bfchw4u	341	22	by	by	IN
cord-351222-9bfchw4u	341	23	sandwichlike	sandwichlike	JJ
cord-351222-9bfchw4u	341	24	-stacking	-stacke	VBG
cord-351222-9bfchw4u	341	25	interactions	interaction	NNS
cord-351222-9bfchw4u	341	26	in	in	IN
cord-351222-9bfchw4u	341	27	the	the	DT
cord-351222-9bfchw4u	341	28	aromatic	aromatic	JJ
cord-351222-9bfchw4u	341	29	gorge	gorge	NN
cord-351222-9bfchw4u	341	30	of	of	IN
cord-351222-9bfchw4u	341	31	the	the	DT
cord-351222-9bfchw4u	341	32	enzyme	enzyme	NN
cord-351222-9bfchw4u	341	33	.	.	.
cord-351222-9bfchw4u	342	1	In	in	IN
cord-351222-9bfchw4u	342	2	both	both	DT
cord-351222-9bfchw4u	342	3	case	case	NN
cord-351222-9bfchw4u	342	4	studies	study	VBZ
cord-351222-9bfchw4u	342	5	the	the	DT
cord-351222-9bfchw4u	342	6	active	active	JJ
cord-351222-9bfchw4u	342	7	natural	natural	JJ
cord-351222-9bfchw4u	342	8	compound	compound	NN
cord-351222-9bfchw4u	342	9	was	be	VBD
cord-351222-9bfchw4u	342	10	already	already	RB
cord-351222-9bfchw4u	342	11	identified	identify	VBN
cord-351222-9bfchw4u	342	12	.	.	.
cord-351222-9bfchw4u	343	1	Thus	thus	RB
cord-351222-9bfchw4u	343	2	,	,	,
cord-351222-9bfchw4u	343	3	the	the	DT
cord-351222-9bfchw4u	343	4	in	in	IN
cord-351222-9bfchw4u	343	5	silico	silico	NN
cord-351222-9bfchw4u	343	6	tool	tool	NN
cord-351222-9bfchw4u	343	7	was	be	VBD
cord-351222-9bfchw4u	343	8	not	not	RB
cord-351222-9bfchw4u	343	9	employed	employ	VBN
cord-351222-9bfchw4u	343	10	for	for	IN
cord-351222-9bfchw4u	343	11	data	datum	NNS
cord-351222-9bfchw4u	343	12	mining	mining	NN
cord-351222-9bfchw4u	343	13	,	,	,
cord-351222-9bfchw4u	343	14	but	but	CC
cord-351222-9bfchw4u	343	15	to	to	TO
cord-351222-9bfchw4u	343	16	elicit	elicit	VB
cord-351222-9bfchw4u	343	17	the	the	DT
cord-351222-9bfchw4u	343	18	putative	putative	JJ
cord-351222-9bfchw4u	343	19	binding	binding	NN
cord-351222-9bfchw4u	343	20	mode	mode	NN
cord-351222-9bfchw4u	343	21	in	in	IN
cord-351222-9bfchw4u	343	22	the	the	DT
cord-351222-9bfchw4u	343	23	macromolecular	macromolecular	JJ
cord-351222-9bfchw4u	343	24	target	target	NN
cord-351222-9bfchw4u	343	25	.	.	.
cord-351222-9bfchw4u	344	1	Docking	docking	NN
cord-351222-9bfchw4u	344	2	simulations	simulation	NNS
cord-351222-9bfchw4u	344	3	turned	turn	VBD
cord-351222-9bfchw4u	344	4	out	out	RP
cord-351222-9bfchw4u	344	5	to	to	TO
cord-351222-9bfchw4u	344	6	be	be	VB
cord-351222-9bfchw4u	344	7	excellent	excellent	JJ
cord-351222-9bfchw4u	344	8	tools	tool	NNS
cord-351222-9bfchw4u	344	9	to	to	TO
cord-351222-9bfchw4u	344	10	get	get	VB
cord-351222-9bfchw4u	344	11	an	an	DT
cord-351222-9bfchw4u	344	12	idea	idea	NN
cord-351222-9bfchw4u	344	13	about	about	IN
cord-351222-9bfchw4u	344	14	the	the	DT
cord-351222-9bfchw4u	344	15	assumed	assume	VBN
cord-351222-9bfchw4u	344	16	molecular	molecular	JJ
cord-351222-9bfchw4u	344	17	ligand	ligand	NN
cord-351222-9bfchw4u	344	18	target	target	NN
cord-351222-9bfchw4u	344	19	interaction	interaction	NN
cord-351222-9bfchw4u	344	20	.	.	.
cord-351222-9bfchw4u	345	1	Another	another	DT
cord-351222-9bfchw4u	345	2	approach	approach	NN
cord-351222-9bfchw4u	345	3	capitalizes	capitalize	VBZ
cord-351222-9bfchw4u	345	4	exactly	exactly	RB
cord-351222-9bfchw4u	345	5	on	on	IN
cord-351222-9bfchw4u	345	6	the	the	DT
cord-351222-9bfchw4u	345	7	just	just	RB
cord-351222-9bfchw4u	345	8	-	-	HYPH
cord-351222-9bfchw4u	345	9	mentioned	mention	VBN
cord-351222-9bfchw4u	345	10	observation	observation	NN
cord-351222-9bfchw4u	345	11	that	that	IN
cord-351222-9bfchw4u	345	12	computational	computational	JJ
cord-351222-9bfchw4u	345	13	predictions	prediction	NNS
cord-351222-9bfchw4u	345	14	may	may	MD
cord-351222-9bfchw4u	345	15	reveal	reveal	VB
cord-351222-9bfchw4u	345	16	an	an	DT
cord-351222-9bfchw4u	345	17	idea	idea	NN
cord-351222-9bfchw4u	345	18	about	about	IN
cord-351222-9bfchw4u	345	19	the	the	DT
cord-351222-9bfchw4u	345	20	interaction	interaction	NN
cord-351222-9bfchw4u	345	21	to	to	IN
cord-351222-9bfchw4u	345	22	a	a	DT
cord-351222-9bfchw4u	345	23	specific	specific	JJ
cord-351222-9bfchw4u	345	24	target	target	NN
cord-351222-9bfchw4u	345	25	's	's	POS
cord-351222-9bfchw4u	345	26	binding	binding	NN
cord-351222-9bfchw4u	345	27	site	site	NN
cord-351222-9bfchw4u	345	28	.	.	.
cord-351222-9bfchw4u	346	1	Thus	thus	RB
cord-351222-9bfchw4u	346	2	,	,	,
cord-351222-9bfchw4u	346	3	it	-PRON-	PRP
cord-351222-9bfchw4u	346	4	is	be	VBZ
cord-351222-9bfchw4u	346	5	possible	possible	JJ
cord-351222-9bfchw4u	346	6	to	to	TO
cord-351222-9bfchw4u	346	7	start	start	VB
cord-351222-9bfchw4u	346	8	with	with	IN
cord-351222-9bfchw4u	346	9	one	one	CD
cord-351222-9bfchw4u	346	10	compound	compound	NN
cord-351222-9bfchw4u	346	11	of	of	IN
cord-351222-9bfchw4u	346	12	unknown	unknown	JJ
cord-351222-9bfchw4u	346	13	activity	activity	NN
cord-351222-9bfchw4u	346	14	and	and	CC
cord-351222-9bfchw4u	346	15	to	to	TO
cord-351222-9bfchw4u	346	16	mine	mine	VB
cord-351222-9bfchw4u	346	17	it	-PRON-	PRP
cord-351222-9bfchw4u	346	18	against	against	IN
cord-351222-9bfchw4u	346	19	a	a	DT
cord-351222-9bfchw4u	346	20	number	number	NN
cord-351222-9bfchw4u	346	21	of	of	IN
cord-351222-9bfchw4u	346	22	structurally	structurally	RB
cord-351222-9bfchw4u	346	23	disclosed	disclose	VBN
cord-351222-9bfchw4u	346	24	targets	target	NNS
cord-351222-9bfchw4u	346	25	in	in	IN
cord-351222-9bfchw4u	346	26	terms	term	NNS
cord-351222-9bfchw4u	346	27	of	of	IN
cord-351222-9bfchw4u	346	28	elaborated	elaborate	VBN
cord-351222-9bfchw4u	346	29	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	346	30	models	model	NNS
cord-351222-9bfchw4u	346	31	(	(	-LRB-
cord-351222-9bfchw4u	346	32	Fig	Fig	NNP
cord-351222-9bfchw4u	346	33	.	.	NNP
cord-351222-9bfchw4u	346	34	7	7	CD
cord-351222-9bfchw4u	346	35	)	)	-RRB-
cord-351222-9bfchw4u	346	36	,	,	,
cord-351222-9bfchw4u	346	37	i.e.	i.e.	FW
cord-351222-9bfchw4u	346	38	,	,	,
cord-351222-9bfchw4u	346	39	parallel	parallel	JJ
cord-351222-9bfchw4u	346	40	in	in	IN
cord-351222-9bfchw4u	346	41	silico	silico	NN
cord-351222-9bfchw4u	346	42	screening	screening	NN
cord-351222-9bfchw4u	346	43	(	(	-LRB-
cord-351222-9bfchw4u	346	44	see	see	VB
cord-351222-9bfchw4u	346	45	previous	previous	JJ
cord-351222-9bfchw4u	346	46	)	)	-RRB-
cord-351222-9bfchw4u	346	47	.	.	.
cord-351222-9bfchw4u	347	1	As	as	RB
cord-351222-9bfchw4u	347	2	soon	soon	RB
cord-351222-9bfchw4u	347	3	as	as	IN
cord-351222-9bfchw4u	347	4	the	the	DT
cord-351222-9bfchw4u	347	5	orphaned	orphaned	JJ
cord-351222-9bfchw4u	347	6	molecule	molecule	NN
cord-351222-9bfchw4u	347	7	is	be	VBZ
cord-351222-9bfchw4u	347	8	able	able	JJ
cord-351222-9bfchw4u	347	9	to	to	TO
cord-351222-9bfchw4u	347	10	comply	comply	VB
cord-351222-9bfchw4u	347	11	with	with	IN
cord-351222-9bfchw4u	347	12	all	all	PDT
cord-351222-9bfchw4u	347	13	the	the	DT
cord-351222-9bfchw4u	347	14	requirements	requirement	NNS
cord-351222-9bfchw4u	347	15	and	and	CC
cord-351222-9bfchw4u	347	16	restrictions	restriction	NNS
cord-351222-9bfchw4u	347	17	imposed	impose	VBN
cord-351222-9bfchw4u	347	18	by	by	IN
cord-351222-9bfchw4u	347	19	any	any	DT
cord-351222-9bfchw4u	347	20	model	model	NN
cord-351222-9bfchw4u	347	21	,	,	,
cord-351222-9bfchw4u	347	22	it	-PRON-	PRP
cord-351222-9bfchw4u	347	23	can	can	MD
cord-351222-9bfchw4u	347	24	be	be	VB
cord-351222-9bfchw4u	347	25	assessed	assess	VBN
cord-351222-9bfchw4u	347	26	as	as	IN
cord-351222-9bfchw4u	347	27	rational	rational	JJ
cord-351222-9bfchw4u	347	28	hint	hint	NN
cord-351222-9bfchw4u	347	29	.	.	.
cord-351222-9bfchw4u	348	1	Consequently	consequently	RB
cord-351222-9bfchw4u	348	2	,	,	,
cord-351222-9bfchw4u	348	3	the	the	DT
cord-351222-9bfchw4u	348	4	focused	focused	JJ
cord-351222-9bfchw4u	348	5	compound	compound	NN
cord-351222-9bfchw4u	348	6	will	will	MD
cord-351222-9bfchw4u	348	7	be	be	VB
cord-351222-9bfchw4u	348	8	subjected	subject	VBN
cord-351222-9bfchw4u	348	9	to	to	IN
cord-351222-9bfchw4u	348	10	a	a	DT
cord-351222-9bfchw4u	348	11	pharmacological	pharmacological	JJ
cord-351222-9bfchw4u	348	12	testing	testing	NN
cord-351222-9bfchw4u	348	13	on	on	IN
cord-351222-9bfchw4u	348	14	the	the	DT
cord-351222-9bfchw4u	348	15	predicted	predict	VBN
cord-351222-9bfchw4u	348	16	target	target	NN
cord-351222-9bfchw4u	348	17	/	/	SYM
cord-351222-9bfchw4u	348	18	s	s	NN
cord-351222-9bfchw4u	348	19	.	.	.
cord-351222-9bfchw4u	349	1	In	in	IN
cord-351222-9bfchw4u	349	2	this	this	DT
cord-351222-9bfchw4u	349	3	way	way	NN
cord-351222-9bfchw4u	349	4	,	,	,
cord-351222-9bfchw4u	349	5	the	the	DT
cord-351222-9bfchw4u	349	6	parallel	parallel	JJ
cord-351222-9bfchw4u	349	7	screening	screening	NN
cord-351222-9bfchw4u	349	8	is	be	VBZ
cord-351222-9bfchw4u	349	9	not	not	RB
cord-351222-9bfchw4u	349	10	only	only	RB
cord-351222-9bfchw4u	349	11	helpful	helpful	JJ
cord-351222-9bfchw4u	349	12	to	to	TO
cord-351222-9bfchw4u	349	13	estimate	estimate	VB
cord-351222-9bfchw4u	349	14	the	the	DT
cord-351222-9bfchw4u	349	15	interactions	interaction	NNS
cord-351222-9bfchw4u	349	16	of	of	IN
cord-351222-9bfchw4u	349	17	a	a	DT
cord-351222-9bfchw4u	349	18	drug	drug	NN
cord-351222-9bfchw4u	349	19	candidate	candidate	NN
cord-351222-9bfchw4u	349	20	with	with	IN
cord-351222-9bfchw4u	349	21	diverse	diverse	JJ
cord-351222-9bfchw4u	349	22	antitargets	antitarget	NNS
cord-351222-9bfchw4u	349	23	;	;	:
cord-351222-9bfchw4u	349	24	or	or	CC
cord-351222-9bfchw4u	349	25	to	to	TO
cord-351222-9bfchw4u	349	26	canvass	canvass	VB
cord-351222-9bfchw4u	349	27	its	-PRON-	PRP$
cord-351222-9bfchw4u	349	28	interactions	interaction	NNS
cord-351222-9bfchw4u	349	29	to	to	IN
cord-351222-9bfchw4u	349	30	related	related	JJ
cord-351222-9bfchw4u	349	31	targets	target	NNS
cord-351222-9bfchw4u	349	32	as	as	IN
cord-351222-9bfchw4u	349	33	is	be	VBZ
cord-351222-9bfchw4u	349	34	performed	perform	VBN
cord-351222-9bfchw4u	349	35	for	for	IN
cord-351222-9bfchw4u	349	36	an	an	DT
cord-351222-9bfchw4u	349	37	activity	activity	NN
cord-351222-9bfchw4u	349	38	profiling	profiling	NN
cord-351222-9bfchw4u	349	39	.	.	.
cord-351222-9bfchw4u	350	1	In	in	IN
cord-351222-9bfchw4u	350	2	this	this	DT
cord-351222-9bfchw4u	350	3	approach	approach	NN
cord-351222-9bfchw4u	350	4	,	,	,
cord-351222-9bfchw4u	350	5	the	the	DT
cord-351222-9bfchw4u	350	6	parallel	parallel	JJ
cord-351222-9bfchw4u	350	7	screening	screening	NN
cord-351222-9bfchw4u	350	8	is	be	VBZ
cord-351222-9bfchw4u	350	9	a	a	DT
cord-351222-9bfchw4u	350	10	computational	computational	JJ
cord-351222-9bfchw4u	350	11	tool	tool	NN
cord-351222-9bfchw4u	350	12	for	for	IN
cord-351222-9bfchw4u	350	13	target	target	NN
cord-351222-9bfchw4u	350	14	fishing	fishing	NN
cord-351222-9bfchw4u	350	15	to	to	TO
cord-351222-9bfchw4u	350	16	get	get	VB
cord-351222-9bfchw4u	350	17	a	a	DT
cord-351222-9bfchw4u	350	18	rational	rational	JJ
cord-351222-9bfchw4u	350	19	idea	idea	NN
cord-351222-9bfchw4u	350	20	about	about	IN
cord-351222-9bfchw4u	350	21	any	any	DT
cord-351222-9bfchw4u	350	22	potential	potential	JJ
cord-351222-9bfchw4u	350	23	target	target	NN
cord-351222-9bfchw4u	350	24	interaction	interaction	NN
cord-351222-9bfchw4u	350	25	and	and	CC
cord-351222-9bfchw4u	350	26	to	to	TO
cord-351222-9bfchw4u	350	27	prioritize	prioritize	VB
cord-351222-9bfchw4u	350	28	a	a	DT
cord-351222-9bfchw4u	350	29	few	few	JJ
cord-351222-9bfchw4u	350	30	targets	target	NNS
cord-351222-9bfchw4u	350	31	for	for	IN
cord-351222-9bfchw4u	350	32	experimental	experimental	JJ
cord-351222-9bfchw4u	350	33	evaluation	evaluation	NN
cord-351222-9bfchw4u	350	34	by	by	IN
cord-351222-9bfchw4u	350	35	applying	apply	VBG
cord-351222-9bfchw4u	350	36	simple	simple	JJ
cord-351222-9bfchw4u	350	37	ligand	ligand	NN
cord-351222-9bfchw4u	350	38	-	-	HYPH
cord-351222-9bfchw4u	350	39	based	base	VBN
cord-351222-9bfchw4u	350	40	or	or	CC
cord-351222-9bfchw4u	350	41	target	target	NN
cord-351222-9bfchw4u	350	42	-	-	HYPH
cord-351222-9bfchw4u	350	43	based	base	VBN
cord-351222-9bfchw4u	350	44	queries	query	NNS
cord-351222-9bfchw4u	350	45	.	.	.
cord-351222-9bfchw4u	351	1	The	the	DT
cord-351222-9bfchw4u	351	2	potential	potential	NN
cord-351222-9bfchw4u	351	3	of	of	IN
cord-351222-9bfchw4u	351	4	virtual	virtual	JJ
cord-351222-9bfchw4u	351	5	screening	screening	NN
cord-351222-9bfchw4u	351	6	of	of	IN
cord-351222-9bfchw4u	351	7	target	target	NN
cord-351222-9bfchw4u	351	8	libraries	library	NNS
cord-351222-9bfchw4u	351	9	was	be	VBD
cord-351222-9bfchw4u	351	10	recently	recently	RB
cord-351222-9bfchw4u	351	11	discussed	discuss	VBN
cord-351222-9bfchw4u	351	12	by	by	IN
cord-351222-9bfchw4u	351	13	Didier	Didier	NNP
cord-351222-9bfchw4u	351	14	Rognan	Rognan	NNP
cord-351222-9bfchw4u	351	15	[	[	-LRB-
cord-351222-9bfchw4u	351	16	95	95	CD
cord-351222-9bfchw4u	351	17	]	]	-RRB-
cord-351222-9bfchw4u	351	18	.	.	.
cord-351222-9bfchw4u	352	1	In	in	IN
cord-351222-9bfchw4u	352	2	his	-PRON-	PRP$
cord-351222-9bfchw4u	352	3	group	group	NN
cord-351222-9bfchw4u	352	4	a	a	DT
cord-351222-9bfchw4u	352	5	structure	structure	NN
cord-351222-9bfchw4u	352	6	-	-	HYPH
cord-351222-9bfchw4u	352	7	based	base	VBN
cord-351222-9bfchw4u	352	8	method	method	NN
cord-351222-9bfchw4u	352	9	for	for	IN
cord-351222-9bfchw4u	352	10	target	target	NN
cord-351222-9bfchw4u	352	11	screening	screening	NN
cord-351222-9bfchw4u	352	12	was	be	VBD
cord-351222-9bfchw4u	352	13	pursued	pursue	VBN
cord-351222-9bfchw4u	352	14	applying	apply	VBG
cord-351222-9bfchw4u	352	15	inverse	inverse	JJ
cord-351222-9bfchw4u	352	16	docking	docking	NN
cord-351222-9bfchw4u	352	17	[	[	-LRB-
cord-351222-9bfchw4u	352	18	96	96	CD
cord-351222-9bfchw4u	352	19	]	]	-RRB-
cord-351222-9bfchw4u	352	20	.	.	.
cord-351222-9bfchw4u	353	1	The	the	DT
cord-351222-9bfchw4u	353	2	authors	author	NNS
cord-351222-9bfchw4u	353	3	used	use	VBD
cord-351222-9bfchw4u	353	4	2,148	2,148	CD
cord-351222-9bfchw4u	353	5	structurally	structurally	RB
cord-351222-9bfchw4u	353	6	well	well	RB
cord-351222-9bfchw4u	353	7	-	-	HYPH
cord-351222-9bfchw4u	353	8	defined	define	VBN
cord-351222-9bfchw4u	353	9	PDB	PDB	NNP
cord-351222-9bfchw4u	353	10	entries	entry	NNS
cord-351222-9bfchw4u	353	11	to	to	TO
cord-351222-9bfchw4u	353	12	build	build	VB
cord-351222-9bfchw4u	353	13	a	a	DT
cord-351222-9bfchw4u	353	14	3D	3d	JJ
cord-351222-9bfchw4u	353	15	protein	protein	NN
cord-351222-9bfchw4u	353	16	library	library	NN
cord-351222-9bfchw4u	353	17	.	.	.
cord-351222-9bfchw4u	354	1	The	the	DT
cord-351222-9bfchw4u	354	2	virtual	virtual	JJ
cord-351222-9bfchw4u	354	3	screening	screening	NN
cord-351222-9bfchw4u	354	4	of	of	IN
cord-351222-9bfchw4u	354	5	this	this	DT
cord-351222-9bfchw4u	354	6	protein	protein	NN
cord-351222-9bfchw4u	354	7	library	library	NN
cord-351222-9bfchw4u	354	8	with	with	IN
cord-351222-9bfchw4u	354	9	four	four	CD
cord-351222-9bfchw4u	354	10	unrelated	unrelated	JJ
cord-351222-9bfchw4u	354	11	ligands	ligand	NNS
cord-351222-9bfchw4u	354	12	was	be	VBD
cord-351222-9bfchw4u	354	13	suitable	suitable	JJ
cord-351222-9bfchw4u	354	14	for	for	IN
cord-351222-9bfchw4u	354	15	recovering	recover	VBG
cord-351222-9bfchw4u	354	16	the	the	DT
cord-351222-9bfchw4u	354	17	true	true	JJ
cord-351222-9bfchw4u	354	18	targets	target	NNS
cord-351222-9bfchw4u	354	19	of	of	IN
cord-351222-9bfchw4u	354	20	specific	specific	JJ
cord-351222-9bfchw4u	354	21	ligands	ligand	NNS
cord-351222-9bfchw4u	354	22	and	and	CC
cord-351222-9bfchw4u	354	23	may	may	MD
cord-351222-9bfchw4u	354	24	as	as	RB
cord-351222-9bfchw4u	354	25	well	well	RB
cord-351222-9bfchw4u	354	26	be	be	VB
cord-351222-9bfchw4u	354	27	used	use	VBN
cord-351222-9bfchw4u	354	28	for	for	IN
cord-351222-9bfchw4u	354	29	virtual	virtual	JJ
cord-351222-9bfchw4u	354	30	selectivity	selectivity	NN
cord-351222-9bfchw4u	354	31	profiling	profiling	NN
cord-351222-9bfchw4u	354	32	of	of	IN
cord-351222-9bfchw4u	354	33	any	any	DT
cord-351222-9bfchw4u	354	34	ligand	ligand	NN
cord-351222-9bfchw4u	354	35	of	of	IN
cord-351222-9bfchw4u	354	36	interest	interest	NN
cord-351222-9bfchw4u	354	37	.	.	.
cord-351222-9bfchw4u	355	1	Nettles	nettle	NNS
cord-351222-9bfchw4u	355	2	and	and	CC
cord-351222-9bfchw4u	355	3	co	co	NNS
cord-351222-9bfchw4u	355	4	-	-	NNS
cord-351222-9bfchw4u	355	5	authors	author	NNS
cord-351222-9bfchw4u	355	6	performed	perform	VBD
cord-351222-9bfchw4u	355	7	the	the	DT
cord-351222-9bfchw4u	355	8	target	target	NN
cord-351222-9bfchw4u	355	9	fishing	fishing	NN
cord-351222-9bfchw4u	355	10	approach	approach	NN
cord-351222-9bfchw4u	355	11	using	use	VBG
cord-351222-9bfchw4u	355	12	a	a	DT
cord-351222-9bfchw4u	355	13	ligand	ligand	NN
cord-351222-9bfchw4u	355	14	-	-	HYPH
cord-351222-9bfchw4u	355	15	based	base	VBN
cord-351222-9bfchw4u	355	16	procedure	procedure	NN
cord-351222-9bfchw4u	355	17	[	[	-LRB-
cord-351222-9bfchw4u	355	18	97	97	CD
cord-351222-9bfchw4u	355	19	]	]	-RRB-
cord-351222-9bfchw4u	355	20	.	.	.
cord-351222-9bfchw4u	356	1	The	the	DT
cord-351222-9bfchw4u	356	2	potential	potential	NN
cord-351222-9bfchw4u	356	3	of	of	IN
cord-351222-9bfchw4u	356	4	both	both	DT
cord-351222-9bfchw4u	356	5	2D	2D	NNP
cord-351222-9bfchw4u	356	6	and	and	CC
cord-351222-9bfchw4u	356	7	3D	3d	JJ
cord-351222-9bfchw4u	356	8	chemical	chemical	NN
cord-351222-9bfchw4u	356	9	descriptors	descriptor	NNS
cord-351222-9bfchw4u	356	10	were	be	VBD
cord-351222-9bfchw4u	356	11	compared	compare	VBN
cord-351222-9bfchw4u	356	12	as	as	IN
cord-351222-9bfchw4u	356	13	tools	tool	NNS
cord-351222-9bfchw4u	356	14	for	for	IN
cord-351222-9bfchw4u	356	15	predicting	predict	VBG
cord-351222-9bfchw4u	356	16	the	the	DT
cord-351222-9bfchw4u	356	17	biological	biological	JJ
cord-351222-9bfchw4u	356	18	targets	target	NNS
cord-351222-9bfchw4u	356	19	of	of	IN
cord-351222-9bfchw4u	356	20	ligand	ligand	NN
cord-351222-9bfchw4u	356	21	probes	probe	NNS
cord-351222-9bfchw4u	356	22	on	on	IN
cord-351222-9bfchw4u	356	23	the	the	DT
cord-351222-9bfchw4u	356	24	basis	basis	NN
cord-351222-9bfchw4u	356	25	of	of	IN
cord-351222-9bfchw4u	356	26	their	-PRON-	PRP$
cord-351222-9bfchw4u	356	27	similarity	similarity	NN
cord-351222-9bfchw4u	356	28	to	to	IN
cord-351222-9bfchw4u	356	29	reference	reference	NN
cord-351222-9bfchw4u	356	30	molecules	molecule	NNS
cord-351222-9bfchw4u	356	31	in	in	IN
cord-351222-9bfchw4u	356	32	a	a	DT
cord-351222-9bfchw4u	356	33	chemical	chemical	NN
cord-351222-9bfchw4u	356	34	database	database	NN
cord-351222-9bfchw4u	356	35	comprising	comprise	VBG
cord-351222-9bfchw4u	356	36	46,000	46,000	CD
cord-351222-9bfchw4u	356	37	biologically	biologically	RB
cord-351222-9bfchw4u	356	38	annotated	annotate	VBN
cord-351222-9bfchw4u	356	39	compounds	compound	NNS
cord-351222-9bfchw4u	356	40	.	.	.
cord-351222-9bfchw4u	357	1	The	the	DT
cord-351222-9bfchw4u	357	2	ligand	ligand	NN
cord-351222-9bfchw4u	357	3	-	-	HYPH
cord-351222-9bfchw4u	357	4	based	base	VBN
cord-351222-9bfchw4u	357	5	3D	3d	JJ
cord-351222-9bfchw4u	357	6	tool	tool	NN
cord-351222-9bfchw4u	357	7	FEPOPS	FEPOPS	NNP
cord-351222-9bfchw4u	357	8	(	(	-LRB-
cord-351222-9bfchw4u	357	9	FEature	FEature	NNP
cord-351222-9bfchw4u	357	10	POint	POint	NNP
cord-351222-9bfchw4u	357	11	PharmacophoreS	pharmacophore	NNS
cord-351222-9bfchw4u	357	12	)	)	-RRB-
cord-351222-9bfchw4u	357	13	,	,	,
cord-351222-9bfchw4u	357	14	which	which	WDT
cord-351222-9bfchw4u	357	15	provides	provide	VBZ
cord-351222-9bfchw4u	357	16	pharmacophoric	pharmacophoric	JJ
cord-351222-9bfchw4u	357	17	alignment	alignment	NN
cord-351222-9bfchw4u	357	18	of	of	IN
cord-351222-9bfchw4u	357	19	the	the	DT
cord-351222-9bfchw4u	357	20	small	small	JJ
cord-351222-9bfchw4u	357	21	molecules	molecule	NNS
cord-351222-9bfchw4u	357	22	'	'	POS
cord-351222-9bfchw4u	357	23	chemical	chemical	NN
cord-351222-9bfchw4u	357	24	features	feature	VBZ
cord-351222-9bfchw4u	357	25	consistent	consistent	JJ
cord-351222-9bfchw4u	357	26	with	with	IN
cord-351222-9bfchw4u	357	27	those	those	DT
cord-351222-9bfchw4u	357	28	seen	see	VBN
cord-351222-9bfchw4u	357	29	in	in	IN
cord-351222-9bfchw4u	357	30	experimental	experimental	JJ
cord-351222-9bfchw4u	357	31	ligand	ligand	NN
cord-351222-9bfchw4u	357	32	/	/	SYM
cord-351222-9bfchw4u	357	33	receptor	receptor	NN
cord-351222-9bfchw4u	357	34	complexes	complex	NNS
cord-351222-9bfchw4u	357	35	,	,	,
cord-351222-9bfchw4u	357	36	was	be	VBD
cord-351222-9bfchw4u	357	37	used	use	VBN
cord-351222-9bfchw4u	357	38	for	for	IN
cord-351222-9bfchw4u	357	39	scaffold	scaffold	NN
cord-351222-9bfchw4u	357	40	jumping	jump	VBG
cord-351222-9bfchw4u	357	41	within	within	IN
cord-351222-9bfchw4u	357	42	the	the	DT
cord-351222-9bfchw4u	357	43	screened	screen	VBN
cord-351222-9bfchw4u	357	44	database	database	NN
cord-351222-9bfchw4u	357	45	.	.	.
cord-351222-9bfchw4u	358	1	Using	use	VBG
cord-351222-9bfchw4u	358	2	ATP	ATP	NNP
cord-351222-9bfchw4u	358	3	the	the	DT
cord-351222-9bfchw4u	358	4	authors	author	NNS
cord-351222-9bfchw4u	358	5	were	be	VBD
cord-351222-9bfchw4u	358	6	able	able	JJ
cord-351222-9bfchw4u	358	7	to	to	TO
cord-351222-9bfchw4u	358	8	identify	identify	VB
cord-351222-9bfchw4u	358	9	the	the	DT
cord-351222-9bfchw4u	358	10	natural	natural	JJ
cord-351222-9bfchw4u	358	11	compound	compound	NN
cord-351222-9bfchw4u	358	12	balanol	balanol	NN
cord-351222-9bfchw4u	358	13	(	(	-LRB-
cord-351222-9bfchw4u	358	14	21	21	CD
cord-351222-9bfchw4u	358	15	)	)	-RRB-
cord-351222-9bfchw4u	358	16	as	as	IN
cord-351222-9bfchw4u	358	17	ligand	ligand	NN
cord-351222-9bfchw4u	358	18	of	of	IN
cord-351222-9bfchw4u	358	19	CDK2	CDK2	NNP
cord-351222-9bfchw4u	358	20	.	.	.
cord-351222-9bfchw4u	359	1	The	the	DT
cord-351222-9bfchw4u	359	2	highest	high	JJS
cord-351222-9bfchw4u	359	3	effort	effort	NN
cord-351222-9bfchw4u	359	4	applying	apply	VBG
cord-351222-9bfchw4u	359	5	this	this	DT
cord-351222-9bfchw4u	359	6	strategy	strategy	NN
cord-351222-9bfchw4u	359	7	is	be	VBZ
cord-351222-9bfchw4u	359	8	the	the	DT
cord-351222-9bfchw4u	359	9	availability	availability	NN
cord-351222-9bfchw4u	359	10	of	of	IN
cord-351222-9bfchw4u	359	11	a	a	DT
cord-351222-9bfchw4u	359	12	representative	representative	JJ
cord-351222-9bfchw4u	359	13	amount	amount	NN
cord-351222-9bfchw4u	359	14	of	of	IN
cord-351222-9bfchw4u	359	15	reliable	reliable	JJ
cord-351222-9bfchw4u	359	16	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	359	17	models	model	NNS
cord-351222-9bfchw4u	359	18	covering	cover	VBG
cord-351222-9bfchw4u	359	19	a	a	DT
cord-351222-9bfchw4u	359	20	wide	wide	JJ
cord-351222-9bfchw4u	359	21	range	range	NN
cord-351222-9bfchw4u	359	22	of	of	IN
cord-351222-9bfchw4u	359	23	relevant	relevant	JJ
cord-351222-9bfchw4u	359	24	targets	target	NNS
cord-351222-9bfchw4u	359	25	(	(	-LRB-
cord-351222-9bfchw4u	359	26	Fig	Fig	NNP
cord-351222-9bfchw4u	359	27	.	.	NNP
cord-351222-9bfchw4u	359	28	7	7	CD
cord-351222-9bfchw4u	359	29	)	)	-RRB-
cord-351222-9bfchw4u	359	30	.	.	.
cord-351222-9bfchw4u	360	1	Thus	thus	RB
cord-351222-9bfchw4u	360	2	,	,	,
cord-351222-9bfchw4u	360	3	it	-PRON-	PRP
cord-351222-9bfchw4u	360	4	may	may	MD
cord-351222-9bfchw4u	360	5	be	be	VB
cord-351222-9bfchw4u	360	6	of	of	IN
cord-351222-9bfchw4u	360	7	particular	particular	JJ
cord-351222-9bfchw4u	360	8	interest	interest	NN
cord-351222-9bfchw4u	360	9	to	to	TO
cord-351222-9bfchw4u	360	10	focus	focus	VB
cord-351222-9bfchw4u	360	11	on	on	IN
cord-351222-9bfchw4u	360	12	one	one	CD
cord-351222-9bfchw4u	360	13	pathological	pathological	JJ
cord-351222-9bfchw4u	360	14	syndrome	syndrome	NN
cord-351222-9bfchw4u	360	15	,	,	,
cord-351222-9bfchw4u	360	16	e.g.	e.g.	RB
cord-351222-9bfchw4u	360	17	,	,	,
cord-351222-9bfchw4u	360	18	obesity	obesity	NN
cord-351222-9bfchw4u	360	19	,	,	,
cord-351222-9bfchw4u	360	20	inflammation	inflammation	NN
cord-351222-9bfchw4u	360	21	,	,	,
cord-351222-9bfchw4u	360	22	apoptosis	apoptosis	NN
cord-351222-9bfchw4u	360	23	etc	etc	FW
cord-351222-9bfchw4u	360	24	.	.	.
cord-351222-9bfchw4u	361	1	,	,	,
cord-351222-9bfchw4u	361	2	where	where	WRB
cord-351222-9bfchw4u	361	3	a	a	DT
cord-351222-9bfchw4u	361	4	phenomenological	phenomenological	JJ
cord-351222-9bfchw4u	361	5	activity	activity	NN
cord-351222-9bfchw4u	361	6	of	of	IN
cord-351222-9bfchw4u	361	7	a	a	DT
cord-351222-9bfchw4u	361	8	NP	NP	NNP
cord-351222-9bfchw4u	361	9	is	be	VBZ
cord-351222-9bfchw4u	361	10	already	already	RB
cord-351222-9bfchw4u	361	11	evident	evident	JJ
cord-351222-9bfchw4u	361	12	.	.	.
cord-351222-9bfchw4u	362	1	Applying	apply	VBG
cord-351222-9bfchw4u	362	2	this	this	DT
cord-351222-9bfchw4u	362	3	approach	approach	NN
cord-351222-9bfchw4u	362	4	the	the	DT
cord-351222-9bfchw4u	362	5	disposition	disposition	NN
cord-351222-9bfchw4u	362	6	of	of	IN
cord-351222-9bfchw4u	362	7	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	362	8	models	model	NNS
cord-351222-9bfchw4u	362	9	for	for	IN
cord-351222-9bfchw4u	362	10	targets	target	NNS
cord-351222-9bfchw4u	362	11	involved	involve	VBN
cord-351222-9bfchw4u	362	12	in	in	IN
cord-351222-9bfchw4u	362	13	the	the	DT
cord-351222-9bfchw4u	362	14	respective	respective	JJ
cord-351222-9bfchw4u	362	15	pathological	pathological	JJ
cord-351222-9bfchw4u	362	16	complex	complex	NN
cord-351222-9bfchw4u	362	17	is	be	VBZ
cord-351222-9bfchw4u	362	18	easier	easy	JJR
cord-351222-9bfchw4u	362	19	to	to	TO
cord-351222-9bfchw4u	362	20	manage	manage	VB
cord-351222-9bfchw4u	362	21	.	.	.
cord-351222-9bfchw4u	363	1	In	in	IN
cord-351222-9bfchw4u	363	2	this	this	DT
cord-351222-9bfchw4u	363	3	way	way	NN
cord-351222-9bfchw4u	363	4	,	,	,
cord-351222-9bfchw4u	363	5	a	a	DT
cord-351222-9bfchw4u	363	6	goal	goal	NN
cord-351222-9bfchw4u	363	7	-	-	HYPH
cord-351222-9bfchw4u	363	8	oriented	orient	VBN
cord-351222-9bfchw4u	363	9	strategy	strategy	NN
cord-351222-9bfchw4u	363	10	may	may	MD
cord-351222-9bfchw4u	363	11	help	help	VB
cord-351222-9bfchw4u	363	12	to	to	TO
cord-351222-9bfchw4u	363	13	bridge	bridge	VB
cord-351222-9bfchw4u	363	14	the	the	DT
cord-351222-9bfchw4u	363	15	gap	gap	NN
cord-351222-9bfchw4u	363	16	between	between	IN
cord-351222-9bfchw4u	363	17	a	a	DT
cord-351222-9bfchw4u	363	18	phenomenological	phenomenological	JJ
cord-351222-9bfchw4u	363	19	effect	effect	NN
cord-351222-9bfchw4u	363	20	and	and	CC
cord-351222-9bfchw4u	363	21	the	the	DT
cord-351222-9bfchw4u	363	22	underlying	underlying	JJ
cord-351222-9bfchw4u	363	23	molecular	molecular	JJ
cord-351222-9bfchw4u	363	24	mode	mode	NN
cord-351222-9bfchw4u	363	25	of	of	IN
cord-351222-9bfchw4u	363	26	action	action	NN
cord-351222-9bfchw4u	363	27	.	.	.
cord-351222-9bfchw4u	364	1	Pertaining	pertain	VBG
cord-351222-9bfchw4u	364	2	to	to	IN
cord-351222-9bfchw4u	364	3	the	the	DT
cord-351222-9bfchw4u	364	4	drug	drug	NN
cord-351222-9bfchw4u	364	5	discovery	discovery	NN
cord-351222-9bfchw4u	364	6	from	from	IN
cord-351222-9bfchw4u	364	7	nature	nature	NN
cord-351222-9bfchw4u	364	8	we	-PRON-	PRP
cord-351222-9bfchw4u	364	9	are	be	VBP
cord-351222-9bfchw4u	364	10	facing	face	VBG
cord-351222-9bfchw4u	364	11	two	two	CD
cord-351222-9bfchw4u	364	12	facts	fact	NNS
cord-351222-9bfchw4u	364	13	:	:	:
cord-351222-9bfchw4u	365	1	(	(	-LRB-
cord-351222-9bfchw4u	365	2	i	i	NN
cord-351222-9bfchw4u	365	3	)	)	-RRB-
cord-351222-9bfchw4u	365	4	statistics	statistic	NNS
cord-351222-9bfchw4u	365	5	show	show	VBP
cord-351222-9bfchw4u	365	6	that	that	IN
cord-351222-9bfchw4u	365	7	the	the	DT
cord-351222-9bfchw4u	365	8	myriad	myriad	NNS
cord-351222-9bfchw4u	365	9	of	of	IN
cord-351222-9bfchw4u	365	10	structurally	structurally	RB
cord-351222-9bfchw4u	365	11	diverse	diverse	JJ
cord-351222-9bfchw4u	365	12	natural	natural	JJ
cord-351222-9bfchw4u	365	13	compounds	compound	NNS
cord-351222-9bfchw4u	365	14	are	be	VBP
cord-351222-9bfchw4u	365	15	the	the	DT
cord-351222-9bfchw4u	365	16	most	most	RBS
cord-351222-9bfchw4u	365	17	favored	favor	VBN
cord-351222-9bfchw4u	365	18	source	source	NN
cord-351222-9bfchw4u	365	19	of	of	IN
cord-351222-9bfchw4u	365	20	new	new	JJ
cord-351222-9bfchw4u	365	21	drugs	drug	NNS
cord-351222-9bfchw4u	365	22	for	for	IN
cord-351222-9bfchw4u	365	23	clinical	clinical	JJ
cord-351222-9bfchw4u	365	24	use	use	NN
cord-351222-9bfchw4u	365	25	[	[	-LRB-
cord-351222-9bfchw4u	365	26	5	5	CD
cord-351222-9bfchw4u	365	27	]	]	-RRB-
cord-351222-9bfchw4u	365	28	;	;	:
cord-351222-9bfchw4u	365	29	(	(	-LRB-
cord-351222-9bfchw4u	365	30	ii	ii	NN
cord-351222-9bfchw4u	365	31	)	)	-RRB-
cord-351222-9bfchw4u	365	32	the	the	DT
cord-351222-9bfchw4u	365	33	drug	drug	NN
cord-351222-9bfchw4u	365	34	discovery	discovery	NN
cord-351222-9bfchw4u	365	35	process	process	NN
cord-351222-9bfchw4u	365	36	has	have	VBZ
cord-351222-9bfchw4u	365	37	moved	move	VBN
cord-351222-9bfchw4u	365	38	towards	towards	IN
cord-351222-9bfchw4u	365	39	more	more	JJR
cord-351222-9bfchw4u	365	40	rational	rational	JJ
cord-351222-9bfchw4u	365	41	concepts	concept	NNS
cord-351222-9bfchw4u	365	42	based	base	VBN
cord-351222-9bfchw4u	365	43	on	on	IN
cord-351222-9bfchw4u	365	44	the	the	DT
cord-351222-9bfchw4u	365	45	increasing	increase	VBG
cord-351222-9bfchw4u	365	46	understanding	understanding	NN
cord-351222-9bfchw4u	365	47	of	of	IN
cord-351222-9bfchw4u	365	48	the	the	DT
cord-351222-9bfchw4u	365	49	molecular	molecular	JJ
cord-351222-9bfchw4u	365	50	principles	principle	NNS
cord-351222-9bfchw4u	365	51	of	of	IN
cord-351222-9bfchw4u	365	52	protein	protein	NN
cord-351222-9bfchw4u	365	53	-	-	HYPH
cord-351222-9bfchw4u	365	54	ligand	ligand	NN
cord-351222-9bfchw4u	365	55	interactions	interaction	NNS
cord-351222-9bfchw4u	365	56	.	.	.
cord-351222-9bfchw4u	366	1	Spurred	spur	VBN
cord-351222-9bfchw4u	366	2	on	on	RP
cord-351222-9bfchw4u	366	3	by	by	IN
cord-351222-9bfchw4u	366	4	economic	economic	JJ
cord-351222-9bfchw4u	366	5	interest	interest	NN
cord-351222-9bfchw4u	367	1	fundamental	fundamental	JJ
cord-351222-9bfchw4u	367	2	advances	advance	NNS
cord-351222-9bfchw4u	367	3	have	have	VBP
cord-351222-9bfchw4u	367	4	been	be	VBN
cord-351222-9bfchw4u	367	5	made	make	VBN
cord-351222-9bfchw4u	367	6	in	in	IN
cord-351222-9bfchw4u	367	7	research	research	NN
cord-351222-9bfchw4u	367	8	applying	apply	VBG
cord-351222-9bfchw4u	367	9	data	datum	NNS
cord-351222-9bfchw4u	367	10	mining	mining	NN
cord-351222-9bfchw4u	367	11	strategies	strategy	NNS
cord-351222-9bfchw4u	367	12	,	,	,
cord-351222-9bfchw4u	367	13	like	like	IN
cord-351222-9bfchw4u	367	14	virtual	virtual	JJ
cord-351222-9bfchw4u	367	15	screening	screening	NN
cord-351222-9bfchw4u	367	16	.	.	.
cord-351222-9bfchw4u	368	1	Though	though	IN
cord-351222-9bfchw4u	368	2	being	be	VBG
cord-351222-9bfchw4u	368	3	aware	aware	JJ
cord-351222-9bfchw4u	368	4	of	of	IN
cord-351222-9bfchw4u	368	5	both	both	DT
cord-351222-9bfchw4u	368	6	potentials	potential	NNS
cord-351222-9bfchw4u	368	7	,	,	,
cord-351222-9bfchw4u	368	8	their	-PRON-	PRP$
cord-351222-9bfchw4u	368	9	combined	combine	VBN
cord-351222-9bfchw4u	368	10	benefit	benefit	NN
cord-351222-9bfchw4u	368	11	could	could	MD
cord-351222-9bfchw4u	368	12	only	only	RB
cord-351222-9bfchw4u	368	13	rudimentary	rudimentary	JJ
cord-351222-9bfchw4u	368	14	be	be	VB
cord-351222-9bfchw4u	368	15	savored	savor	VBN
cord-351222-9bfchw4u	368	16	.	.	.
cord-351222-9bfchw4u	369	1	Only	only	RB
cord-351222-9bfchw4u	369	2	limited	limited	JJ
cord-351222-9bfchw4u	369	3	attempts	attempt	NNS
cord-351222-9bfchw4u	369	4	applying	apply	VBG
cord-351222-9bfchw4u	369	5	innovative	innovative	JJ
cord-351222-9bfchw4u	369	6	in	in	IN
cord-351222-9bfchw4u	369	7	silico	silico	NN
cord-351222-9bfchw4u	369	8	tools	tool	NNS
cord-351222-9bfchw4u	369	9	in	in	IN
cord-351222-9bfchw4u	369	10	NP	NP	NNP
cord-351222-9bfchw4u	369	11	research	research	NN
cord-351222-9bfchw4u	369	12	are	be	VBP
cord-351222-9bfchw4u	369	13	pursued	pursue	VBN
cord-351222-9bfchw4u	369	14	so	so	RB
cord-351222-9bfchw4u	369	15	far	far	RB
cord-351222-9bfchw4u	369	16	,	,	,
cord-351222-9bfchw4u	369	17	because	because	IN
cord-351222-9bfchw4u	369	18	the	the	DT
cord-351222-9bfchw4u	369	19	search	search	NN
cord-351222-9bfchw4u	369	20	for	for	IN
cord-351222-9bfchw4u	369	21	bioactive	bioactive	JJ
cord-351222-9bfchw4u	369	22	compounds	compound	NNS
cord-351222-9bfchw4u	369	23	is	be	VBZ
cord-351222-9bfchw4u	369	24	a	a	DT
cord-351222-9bfchw4u	369	25	complex	complex	JJ
cord-351222-9bfchw4u	369	26	and	and	CC
cord-351222-9bfchw4u	369	27	multidisciplinary	multidisciplinary	JJ
cord-351222-9bfchw4u	369	28	challenge	challenge	NN
cord-351222-9bfchw4u	369	29	.	.	.
cord-351222-9bfchw4u	370	1	Thus	thus	RB
cord-351222-9bfchw4u	370	2	,	,	,
cord-351222-9bfchw4u	370	3	a	a	DT
cord-351222-9bfchw4u	370	4	sensible	sensible	JJ
cord-351222-9bfchw4u	370	5	adaptation	adaptation	NN
cord-351222-9bfchw4u	370	6	of	of	IN
cord-351222-9bfchw4u	370	7	computational	computational	JJ
cord-351222-9bfchw4u	370	8	strategies	strategy	NNS
cord-351222-9bfchw4u	370	9	is	be	VBZ
cord-351222-9bfchw4u	370	10	in	in	IN
cord-351222-9bfchw4u	370	11	demand	demand	NN
cord-351222-9bfchw4u	370	12	to	to	TO
cord-351222-9bfchw4u	370	13	profit	profit	VB
cord-351222-9bfchw4u	370	14	in	in	IN
cord-351222-9bfchw4u	370	15	an	an	DT
cord-351222-9bfchw4u	370	16	economic	economic	JJ
cord-351222-9bfchw4u	370	17	way	way	NN
cord-351222-9bfchw4u	370	18	from	from	IN
cord-351222-9bfchw4u	370	19	the	the	DT
cord-351222-9bfchw4u	370	20	unique	unique	JJ
cord-351222-9bfchw4u	370	21	chemical	chemical	NN
cord-351222-9bfchw4u	370	22	and	and	CC
cord-351222-9bfchw4u	370	23	biological	biological	JJ
cord-351222-9bfchw4u	370	24	diversity	diversity	NN
cord-351222-9bfchw4u	370	25	associated	associate	VBN
cord-351222-9bfchw4u	370	26	with	with	IN
cord-351222-9bfchw4u	370	27	NPs	NPs	NNPS
cord-351222-9bfchw4u	370	28	.	.	.
cord-351222-9bfchw4u	371	1	Virtual	virtual	JJ
cord-351222-9bfchw4u	371	2	screening	screening	NN
cord-351222-9bfchw4u	371	3	techniques	technique	NNS
cord-351222-9bfchw4u	371	4	,	,	,
cord-351222-9bfchw4u	371	5	however	however	RB
cord-351222-9bfchw4u	371	6	,	,	,
cord-351222-9bfchw4u	371	7	must	must	MD
cord-351222-9bfchw4u	371	8	not	not	RB
cord-351222-9bfchw4u	371	9	be	be	VB
cord-351222-9bfchw4u	371	10	used	use	VBN
cord-351222-9bfchw4u	371	11	exclusively	exclusively	RB
cord-351222-9bfchw4u	371	12	as	as	IN
cord-351222-9bfchw4u	371	13	activity	activity	NN
cord-351222-9bfchw4u	371	14	-	-	HYPH
cord-351222-9bfchw4u	371	15	predicting	predict	VBG
cord-351222-9bfchw4u	371	16	tools	tool	NNS
cord-351222-9bfchw4u	371	17	,	,	,
cord-351222-9bfchw4u	371	18	since	since	IN
cord-351222-9bfchw4u	371	19	the	the	DT
cord-351222-9bfchw4u	371	20	results	result	NNS
cord-351222-9bfchw4u	371	21	provide	provide	VBP
cord-351222-9bfchw4u	371	22	merely	merely	RB
cord-351222-9bfchw4u	371	23	an	an	DT
cord-351222-9bfchw4u	371	24	indication	indication	NN
cord-351222-9bfchw4u	371	25	for	for	IN
cord-351222-9bfchw4u	371	26	a	a	DT
cord-351222-9bfchw4u	371	27	putative	putative	JJ
cord-351222-9bfchw4u	371	28	activity	activity	NN
cord-351222-9bfchw4u	371	29	:	:	:
cord-351222-9bfchw4u	371	30	it	-PRON-	PRP
cord-351222-9bfchw4u	371	31	is	be	VBZ
cord-351222-9bfchw4u	371	32	only	only	RB
cord-351222-9bfchw4u	371	33	by	by	IN
cord-351222-9bfchw4u	371	34	the	the	DT
cord-351222-9bfchw4u	371	35	creation	creation	NN
cord-351222-9bfchw4u	371	36	of	of	IN
cord-351222-9bfchw4u	371	37	interfaces	interface	NNS
cord-351222-9bfchw4u	371	38	between	between	IN
cord-351222-9bfchw4u	371	39	computational	computational	JJ
cord-351222-9bfchw4u	371	40	tools	tool	NNS
cord-351222-9bfchw4u	371	41	and	and	CC
cord-351222-9bfchw4u	371	42	well	well	RB
cord-351222-9bfchw4u	371	43	-	-	HYPH
cord-351222-9bfchw4u	371	44	established	establish	VBN
cord-351222-9bfchw4u	371	45	methods	method	NNS
cord-351222-9bfchw4u	371	46	from	from	IN
cord-351222-9bfchw4u	371	47	pharmacognosy	pharmacognosy	NN
cord-351222-9bfchw4u	371	48	that	that	IN
cord-351222-9bfchw4u	371	49	a	a	DT
cord-351222-9bfchw4u	371	50	reasonable	reasonable	JJ
cord-351222-9bfchw4u	371	51	standard	standard	NN
cord-351222-9bfchw4u	371	52	of	of	IN
cord-351222-9bfchw4u	371	53	success	success	NN
cord-351222-9bfchw4u	371	54	can	can	MD
cord-351222-9bfchw4u	371	55	be	be	VB
cord-351222-9bfchw4u	371	56	achieved	achieve	VBN
cord-351222-9bfchw4u	371	57	.	.	.
cord-351222-9bfchw4u	372	1	The	the	DT
cord-351222-9bfchw4u	372	2	search	search	NN
cord-351222-9bfchw4u	372	3	for	for	IN
cord-351222-9bfchw4u	372	4	the	the	DT
cord-351222-9bfchw4u	372	5	most	most	RBS
cord-351222-9bfchw4u	372	6	effective	effective	JJ
cord-351222-9bfchw4u	372	7	strategy	strategy	NN
cord-351222-9bfchw4u	372	8	is	be	VBZ
cord-351222-9bfchw4u	372	9	best	well	RBS
cord-351222-9bfchw4u	372	10	performed	perform	VBN
cord-351222-9bfchw4u	372	11	by	by	IN
cord-351222-9bfchw4u	372	12	a	a	DT
cord-351222-9bfchw4u	372	13	drug	drug	NN
cord-351222-9bfchw4u	372	14	discovery	discovery	NN
cord-351222-9bfchw4u	372	15	process	process	NN
cord-351222-9bfchw4u	372	16	that	that	WDT
cord-351222-9bfchw4u	372	17	involves	involve	VBZ
cord-351222-9bfchw4u	372	18	the	the	DT
cord-351222-9bfchw4u	372	19	exploitation	exploitation	NN
cord-351222-9bfchw4u	372	20	of	of	IN
cord-351222-9bfchw4u	372	21	all	all	PDT
cord-351222-9bfchw4u	372	22	the	the	DT
cord-351222-9bfchw4u	372	23	information	information	NN
cord-351222-9bfchw4u	372	24	which	which	WDT
cord-351222-9bfchw4u	372	25	can	can	MD
cord-351222-9bfchw4u	372	26	be	be	VB
cord-351222-9bfchw4u	372	27	gathered	gather	VBN
cord-351222-9bfchw4u	372	28	from	from	IN
cord-351222-9bfchw4u	372	29	bioactivity	bioactivity	NN
cord-351222-9bfchw4u	372	30	-	-	HYPH
cord-351222-9bfchw4u	372	31	guided	guide	VBN
cord-351222-9bfchw4u	372	32	fractionation	fractionation	NN
cord-351222-9bfchw4u	372	33	,	,	,
cord-351222-9bfchw4u	372	34	on	on	IN
cord-351222-9bfchw4u	372	35	-	-	HYPH
cord-351222-9bfchw4u	372	36	line	line	NN
cord-351222-9bfchw4u	372	37	analytical	analytical	JJ
cord-351222-9bfchw4u	372	38	activity	activity	NN
cord-351222-9bfchw4u	372	39	profiling	profiling	NN
cord-351222-9bfchw4u	372	40	,	,	,
cord-351222-9bfchw4u	372	41	ethnopharmacological	ethnopharmacological	JJ
cord-351222-9bfchw4u	372	42	screening	screening	NN
cord-351222-9bfchw4u	372	43	,	,	,
cord-351222-9bfchw4u	372	44	chemoinformatics	chemoinformatic	NNS
cord-351222-9bfchw4u	372	45	,	,	,
cord-351222-9bfchw4u	372	46	virtual	virtual	JJ
cord-351222-9bfchw4u	372	47	and	and	CC
cord-351222-9bfchw4u	372	48	in	in	IN
cord-351222-9bfchw4u	372	49	vitro	vitro	FW
cord-351222-9bfchw4u	372	50	screening	screening	NN
cord-351222-9bfchw4u	372	51	studies	study	NNS
cord-351222-9bfchw4u	372	52	.	.	.
cord-351222-9bfchw4u	373	1	In	in	IN
cord-351222-9bfchw4u	373	2	the	the	DT
cord-351222-9bfchw4u	373	3	first	first	JJ
cord-351222-9bfchw4u	373	4	instance	instance	NN
cord-351222-9bfchw4u	373	5	it	-PRON-	PRP
cord-351222-9bfchw4u	373	6	behoves	behove	VBZ
cord-351222-9bfchw4u	373	7	modern	modern	JJ
cord-351222-9bfchw4u	373	8	pharmacognosy	pharmacognosy	NN
cord-351222-9bfchw4u	373	9	to	to	TO
cord-351222-9bfchw4u	373	10	skillfully	skillfully	RB
cord-351222-9bfchw4u	373	11	exploit	exploit	VB
cord-351222-9bfchw4u	373	12	knowledge	knowledge	NN
cord-351222-9bfchw4u	373	13	from	from	IN
cord-351222-9bfchw4u	373	14	all	all	PDT
cord-351222-9bfchw4u	373	15	these	these	DT
cord-351222-9bfchw4u	373	16	fields	field	NNS
cord-351222-9bfchw4u	373	17	because	because	IN
cord-351222-9bfchw4u	373	18	it	-PRON-	PRP
cord-351222-9bfchw4u	373	19	is	be	VBZ
cord-351222-9bfchw4u	373	20	of	of	IN
cord-351222-9bfchw4u	373	21	paramount	paramount	JJ
cord-351222-9bfchw4u	373	22	importance	importance	NN
cord-351222-9bfchw4u	373	23	to	to	TO
cord-351222-9bfchw4u	373	24	sift	sift	VB
cord-351222-9bfchw4u	373	25	through	through	IN
cord-351222-9bfchw4u	373	26	the	the	DT
cord-351222-9bfchw4u	373	27	enormous	enormous	JJ
cord-351222-9bfchw4u	373	28	wealth	wealth	NN
cord-351222-9bfchw4u	373	29	of	of	IN
cord-351222-9bfchw4u	373	30	NPs	NPs	NNPS
cord-351222-9bfchw4u	373	31	.	.	.
cord-351222-9bfchw4u	374	1	Examples	example	NNS
cord-351222-9bfchw4u	374	2	underlining	underline	VBG
cord-351222-9bfchw4u	374	3	the	the	DT
cord-351222-9bfchw4u	374	4	impact	impact	NN
cord-351222-9bfchw4u	374	5	of	of	IN
cord-351222-9bfchw4u	374	6	virtual	virtual	JJ
cord-351222-9bfchw4u	374	7	screening	screening	NN
cord-351222-9bfchw4u	374	8	on	on	IN
cord-351222-9bfchw4u	374	9	the	the	DT
cord-351222-9bfchw4u	374	10	identification	identification	NN
cord-351222-9bfchw4u	374	11	of	of	IN
cord-351222-9bfchw4u	374	12	active	active	JJ
cord-351222-9bfchw4u	374	13	NPs	NPs	NNPS
cord-351222-9bfchw4u	374	14	have	have	VBP
cord-351222-9bfchw4u	374	15	been	be	VBN
cord-351222-9bfchw4u	374	16	presented	present	VBN
cord-351222-9bfchw4u	374	17	in	in	IN
cord-351222-9bfchw4u	374	18	this	this	DT
cord-351222-9bfchw4u	374	19	survey	survey	NN
cord-351222-9bfchw4u	374	20	.	.	.
cord-351222-9bfchw4u	375	1	Though	though	IN
cord-351222-9bfchw4u	375	2	the	the	DT
cord-351222-9bfchw4u	375	3	full	full	JJ
cord-351222-9bfchw4u	375	4	potential	potential	NN
cord-351222-9bfchw4u	375	5	in	in	IN
cord-351222-9bfchw4u	375	6	this	this	DT
cord-351222-9bfchw4u	375	7	field	field	NN
cord-351222-9bfchw4u	375	8	is	be	VBZ
cord-351222-9bfchw4u	375	9	by	by	IN
cord-351222-9bfchw4u	375	10	far	far	RB
cord-351222-9bfchw4u	375	11	untapped	untapped	JJ
cord-351222-9bfchw4u	375	12	,	,	,
cord-351222-9bfchw4u	375	13	these	these	DT
cord-351222-9bfchw4u	375	14	early	early	JJ
cord-351222-9bfchw4u	375	15	results	result	NNS
cord-351222-9bfchw4u	375	16	indicate	indicate	VBP
cord-351222-9bfchw4u	375	17	that	that	IN
cord-351222-9bfchw4u	375	18	the	the	DT
cord-351222-9bfchw4u	375	19	integrated	integrate	VBN
cord-351222-9bfchw4u	375	20	virtual	virtual	JJ
cord-351222-9bfchw4u	375	21	screening	screening	NN
cord-351222-9bfchw4u	375	22	approaches	approach	NNS
cord-351222-9bfchw4u	375	23	are	be	VBP
cord-351222-9bfchw4u	375	24	target	target	NN
cord-351222-9bfchw4u	375	25	-	-	HYPH
cord-351222-9bfchw4u	375	26	oriented	orient	VBN
cord-351222-9bfchw4u	375	27	and	and	CC
cord-351222-9bfchw4u	375	28	trendsetting	trendsetting	JJ
cord-351222-9bfchw4u	375	29	strategies	strategy	NNS
cord-351222-9bfchw4u	375	30	.	.	.
cord-351222-9bfchw4u	376	1	However	however	RB
cord-351222-9bfchw4u	376	2	,	,	,
cord-351222-9bfchw4u	376	3	as	as	IN
cord-351222-9bfchw4u	376	4	any	any	DT
cord-351222-9bfchw4u	376	5	computer	computer	NN
cord-351222-9bfchw4u	376	6	-	-	HYPH
cord-351222-9bfchw4u	376	7	based	base	VBN
cord-351222-9bfchw4u	376	8	technique	technique	NN
cord-351222-9bfchw4u	376	9	,	,	,
cord-351222-9bfchw4u	376	10	the	the	DT
cord-351222-9bfchw4u	376	11	successful	successful	JJ
cord-351222-9bfchw4u	376	12	use	use	NN
cord-351222-9bfchw4u	376	13	of	of	IN
cord-351222-9bfchw4u	376	14	virtual	virtual	JJ
cord-351222-9bfchw4u	376	15	screening	screening	NN
cord-351222-9bfchw4u	376	16	will	will	MD
cord-351222-9bfchw4u	376	17	entirely	entirely	RB
cord-351222-9bfchw4u	376	18	depend	depend	VB
cord-351222-9bfchw4u	376	19	on	on	IN
cord-351222-9bfchw4u	376	20	the	the	DT
cord-351222-9bfchw4u	376	21	way	way	NN
cord-351222-9bfchw4u	376	22	it	-PRON-	PRP
cord-351222-9bfchw4u	376	23	is	be	VBZ
cord-351222-9bfchw4u	376	24	utilized	utilize	VBN
cord-351222-9bfchw4u	376	25	and	and	CC
cord-351222-9bfchw4u	376	26	the	the	DT
cord-351222-9bfchw4u	376	27	quality	quality	NN
cord-351222-9bfchw4u	376	28	of	of	IN
cord-351222-9bfchw4u	376	29	its	-PRON-	PRP$
cord-351222-9bfchw4u	376	30	underlying	underlie	VBG
cord-351222-9bfchw4u	376	31	experimental	experimental	JJ
cord-351222-9bfchw4u	376	32	data	datum	NNS
cord-351222-9bfchw4u	376	33	.	.	.
cord-351222-9bfchw4u	377	1	The	the	DT
cord-351222-9bfchw4u	377	2	advantages	advantage	NNS
cord-351222-9bfchw4u	377	3	implemented	implement	VBD
cord-351222-9bfchw4u	377	4	to	to	IN
cord-351222-9bfchw4u	377	5	a	a	DT
cord-351222-9bfchw4u	377	6	virtual	virtual	JJ
cord-351222-9bfchw4u	377	7	screening	screening	NN
cord-351222-9bfchw4u	377	8	cycle	cycle	NN
cord-351222-9bfchw4u	377	9	compared	compare	VBN
cord-351222-9bfchw4u	377	10	to	to	IN
cord-351222-9bfchw4u	377	11	a	a	DT
cord-351222-9bfchw4u	377	12	conventional	conventional	JJ
cord-351222-9bfchw4u	377	13	in	in	IN
cord-351222-9bfchw4u	377	14	vitro	vitro	FW
cord-351222-9bfchw4u	378	1	screening	screening	NN
cord-351222-9bfchw4u	378	2	are	be	VBP
cord-351222-9bfchw4u	378	3	obvious	obvious	JJ
cord-351222-9bfchw4u	378	4	:	:	:
cord-351222-9bfchw4u	378	5	(	(	-LRB-
cord-351222-9bfchw4u	378	6	i	i	NN
cord-351222-9bfchw4u	378	7	)	)	-RRB-
cord-351222-9bfchw4u	378	8	higher	high	JJR
cord-351222-9bfchw4u	378	9	capacity	capacity	NN
cord-351222-9bfchw4u	378	10	,	,	,
cord-351222-9bfchw4u	378	11	(	(	-LRB-
cord-351222-9bfchw4u	378	12	ii	ii	LS
cord-351222-9bfchw4u	378	13	)	)	-RRB-
cord-351222-9bfchw4u	378	14	no	no	DT
cord-351222-9bfchw4u	378	15	need	need	NN
cord-351222-9bfchw4u	378	16	for	for	IN
cord-351222-9bfchw4u	378	17	isolated	isolate	VBN
cord-351222-9bfchw4u	378	18	compounds	compound	NNS
cord-351222-9bfchw4u	378	19	,	,	,
cord-351222-9bfchw4u	378	20	(	(	-LRB-
cord-351222-9bfchw4u	378	21	iii	iii	NN
cord-351222-9bfchw4u	378	22	)	)	-RRB-
cord-351222-9bfchw4u	378	23	less	less	JJR
cord-351222-9bfchw4u	378	24	experimental	experimental	JJ
cord-351222-9bfchw4u	378	25	efforts	effort	NNS
cord-351222-9bfchw4u	378	26	for	for	IN
cord-351222-9bfchw4u	378	27	testing	testing	NN
cord-351222-9bfchw4u	378	28	;	;	:
cord-351222-9bfchw4u	378	29	(	(	-LRB-
cord-351222-9bfchw4u	378	30	iv	iv	LS
cord-351222-9bfchw4u	378	31	)	)	-RRB-
cord-351222-9bfchw4u	378	32	theoretically	theoretically	RB
cord-351222-9bfchw4u	378	33	,	,	,
cord-351222-9bfchw4u	378	34	interactions	interaction	NNS
cord-351222-9bfchw4u	378	35	of	of	IN
cord-351222-9bfchw4u	378	36	all	all	DT
cord-351222-9bfchw4u	378	37	known	know	VBN
cord-351222-9bfchw4u	378	38	NPs	NPs	NNPS
cord-351222-9bfchw4u	378	39	to	to	IN
cord-351222-9bfchw4u	378	40	all	all	DT
cord-351222-9bfchw4u	378	41	structurally	structurally	RB
cord-351222-9bfchw4u	378	42	defined	define	VBN
cord-351222-9bfchw4u	378	43	targets	target	NNS
cord-351222-9bfchw4u	378	44	can	can	MD
cord-351222-9bfchw4u	378	45	be	be	VB
cord-351222-9bfchw4u	378	46	calculated	calculate	VBN
cord-351222-9bfchw4u	378	47	and	and	CC
cord-351222-9bfchw4u	378	48	predicted	predict	VBN
cord-351222-9bfchw4u	378	49	,	,	,
cord-351222-9bfchw4u	378	50	(	(	-LRB-
cord-351222-9bfchw4u	378	51	v	v	LS
cord-351222-9bfchw4u	378	52	)	)	-RRB-
cord-351222-9bfchw4u	378	53	the	the	DT
cord-351222-9bfchw4u	378	54	quality	quality	NN
cord-351222-9bfchw4u	378	55	of	of	IN
cord-351222-9bfchw4u	378	56	hit	hit	NN
cord-351222-9bfchw4u	378	57	compounds	compound	NNS
cord-351222-9bfchw4u	378	58	can	can	MD
cord-351222-9bfchw4u	378	59	be	be	VB
cord-351222-9bfchw4u	378	60	increased	increase	VBN
cord-351222-9bfchw4u	378	61	by	by	IN
cord-351222-9bfchw4u	378	62	additional	additional	JJ
cord-351222-9bfchw4u	378	63	drug	drug	NN
cord-351222-9bfchw4u	378	64	-	-	HYPH
cord-351222-9bfchw4u	378	65	like	like	JJ
cord-351222-9bfchw4u	378	66	filters	filter	NNS
cord-351222-9bfchw4u	378	67	and	and	CC
cord-351222-9bfchw4u	378	68	virtually	virtually	RB
cord-351222-9bfchw4u	378	69	restricted	restrict	VBN
cord-351222-9bfchw4u	378	70	ADME	ADME	NNP
cord-351222-9bfchw4u	378	71	properties	property	NNS
cord-351222-9bfchw4u	378	72	;	;	:
cord-351222-9bfchw4u	378	73	thus	thus	RB
cord-351222-9bfchw4u	378	74	diminishing	diminish	VBG
cord-351222-9bfchw4u	378	75	failures	failure	NNS
cord-351222-9bfchw4u	378	76	in	in	IN
cord-351222-9bfchw4u	378	77	the	the	DT
cord-351222-9bfchw4u	378	78	early	early	JJ
cord-351222-9bfchw4u	378	79	drug	drug	NN
cord-351222-9bfchw4u	378	80	development	development	NN
cord-351222-9bfchw4u	378	81	.	.	.
cord-351222-9bfchw4u	379	1	Nevertheless	nevertheless	RB
cord-351222-9bfchw4u	379	2	experimental	experimental	JJ
cord-351222-9bfchw4u	379	3	investigations	investigation	NNS
cord-351222-9bfchw4u	379	4	are	be	VBP
cord-351222-9bfchw4u	379	5	seminal	seminal	JJ
cord-351222-9bfchw4u	379	6	,	,	,
cord-351222-9bfchw4u	379	7	but	but	CC
cord-351222-9bfchw4u	379	8	can	can	MD
cord-351222-9bfchw4u	379	9	be	be	VB
cord-351222-9bfchw4u	379	10	focused	focus	VBN
cord-351222-9bfchw4u	379	11	in	in	IN
cord-351222-9bfchw4u	379	12	a	a	DT
cord-351222-9bfchw4u	379	13	more	more	RBR
cord-351222-9bfchw4u	379	14	effective	effective	JJ
cord-351222-9bfchw4u	379	15	fashion	fashion	NN
cord-351222-9bfchw4u	379	16	.	.	.
cord-351222-9bfchw4u	380	1	A	a	DT
cord-351222-9bfchw4u	380	2	cautious	cautious	JJ
cord-351222-9bfchw4u	380	3	handling	handling	NN
cord-351222-9bfchw4u	380	4	of	of	IN
cord-351222-9bfchw4u	380	5	virtual	virtual	JJ
cord-351222-9bfchw4u	380	6	hits	hit	NNS
cord-351222-9bfchw4u	380	7	together	together	RB
cord-351222-9bfchw4u	380	8	with	with	IN
cord-351222-9bfchw4u	380	9	lessons	lesson	NNS
cord-351222-9bfchw4u	380	10	learned	learn	VBN
cord-351222-9bfchw4u	380	11	from	from	IN
cord-351222-9bfchw4u	380	12	traditional	traditional	JJ
cord-351222-9bfchw4u	380	13	pharmacognosy	pharmacognosy	NN
cord-351222-9bfchw4u	380	14	seems	seem	VBZ
cord-351222-9bfchw4u	380	15	to	to	TO
cord-351222-9bfchw4u	380	16	be	be	VB
cord-351222-9bfchw4u	380	17	crucial	crucial	JJ
cord-351222-9bfchw4u	380	18	for	for	IN
cord-351222-9bfchw4u	380	19	a	a	DT
cord-351222-9bfchw4u	380	20	successful	successful	JJ
cord-351222-9bfchw4u	380	21	exploitation	exploitation	NN
cord-351222-9bfchw4u	380	22	of	of	IN
cord-351222-9bfchw4u	380	23	treasures	treasure	NNS
cord-351222-9bfchw4u	380	24	from	from	IN
cord-351222-9bfchw4u	380	25	nature	nature	NN
cord-351222-9bfchw4u	380	26	.	.	.
cord-351222-9bfchw4u	381	1	In	in	IN
cord-351222-9bfchw4u	381	2	this	this	DT
cord-351222-9bfchw4u	381	3	area	area	NN
cord-351222-9bfchw4u	381	4	,	,	,
cord-351222-9bfchw4u	381	5	virtual	virtual	JJ
cord-351222-9bfchw4u	381	6	screening	screening	NN
cord-351222-9bfchw4u	381	7	will	will	MD
cord-351222-9bfchw4u	381	8	most	most	RBS
cord-351222-9bfchw4u	381	9	likely	likely	RB
cord-351222-9bfchw4u	381	10	play	play	VB
cord-351222-9bfchw4u	381	11	an	an	DT
cord-351222-9bfchw4u	381	12	essential	essential	JJ
cord-351222-9bfchw4u	381	13	role	role	NN
cord-351222-9bfchw4u	381	14	in	in	IN
cord-351222-9bfchw4u	381	15	accelerating	accelerate	VBG
cord-351222-9bfchw4u	381	16	the	the	DT
cord-351222-9bfchw4u	381	17	early	early	JJ
cord-351222-9bfchw4u	381	18	stage	stage	NN
cord-351222-9bfchw4u	381	19	of	of	IN
cord-351222-9bfchw4u	381	20	drug	drug	NN
cord-351222-9bfchw4u	381	21	discovery	discovery	NN
cord-351222-9bfchw4u	381	22	by	by	IN
cord-351222-9bfchw4u	381	23	efficiently	efficiently	RB
cord-351222-9bfchw4u	381	24	digging	dig	VBG
cord-351222-9bfchw4u	381	25	out	out	RP
cord-351222-9bfchw4u	381	26	lead	lead	NN
cord-351222-9bfchw4u	381	27	compounds	compound	NNS
cord-351222-9bfchw4u	381	28	from	from	IN
cord-351222-9bfchw4u	381	29	nature	nature	NN
cord-351222-9bfchw4u	381	30	.	.	.
cord-351222-9bfchw4u	382	1	Rediscovering	rediscover	VBG
cord-351222-9bfchw4u	382	2	the	the	DT
cord-351222-9bfchw4u	382	3	sweet	sweet	JJ
cord-351222-9bfchw4u	382	4	spot	spot	NN
cord-351222-9bfchw4u	382	5	in	in	IN
cord-351222-9bfchw4u	382	6	drug	drug	NN
cord-351222-9bfchw4u	382	7	discovery	discovery	NN
cord-351222-9bfchw4u	382	8	Strategic	strategic	JJ
cord-351222-9bfchw4u	382	9	trends	trend	NNS
cord-351222-9bfchw4u	382	10	in	in	IN
cord-351222-9bfchw4u	382	11	the	the	DT
cord-351222-9bfchw4u	382	12	drug	drug	NN
cord-351222-9bfchw4u	382	13	industry	industry	NN
cord-351222-9bfchw4u	382	14	Screening	screening	NN
cord-351222-9bfchw4u	382	15	for	for	IN
cord-351222-9bfchw4u	382	16	drug	drug	NN
cord-351222-9bfchw4u	382	17	discovery	discovery	NN
cord-351222-9bfchw4u	382	18	:	:	:
cord-351222-9bfchw4u	382	19	the	the	DT
cord-351222-9bfchw4u	382	20	leading	lead	VBG
cord-351222-9bfchw4u	382	21	question	question	NN
cord-351222-9bfchw4u	382	22	The	the	DT
cord-351222-9bfchw4u	382	23	role	role	NN
cord-351222-9bfchw4u	382	24	of	of	IN
cord-351222-9bfchw4u	382	25	natural	natural	JJ
cord-351222-9bfchw4u	382	26	products	product	NNS
cord-351222-9bfchw4u	382	27	in	in	IN
cord-351222-9bfchw4u	382	28	a	a	DT
cord-351222-9bfchw4u	382	29	modern	modern	JJ
cord-351222-9bfchw4u	382	30	drug	drug	NN
cord-351222-9bfchw4u	382	31	discovery	discovery	NN
cord-351222-9bfchw4u	382	32	program	program	NN
cord-351222-9bfchw4u	382	33	Natural	natural	JJ
cord-351222-9bfchw4u	382	34	products	product	NNS
cord-351222-9bfchw4u	382	35	as	as	IN
cord-351222-9bfchw4u	382	36	sources	source	NNS
cord-351222-9bfchw4u	382	37	of	of	IN
cord-351222-9bfchw4u	382	38	new	new	JJ
cord-351222-9bfchw4u	382	39	drugs	drug	NNS
cord-351222-9bfchw4u	382	40	over	over	IN
cord-351222-9bfchw4u	382	41	the	the	DT
cord-351222-9bfchw4u	382	42	last	last	JJ
cord-351222-9bfchw4u	382	43	25	25	CD
cord-351222-9bfchw4u	382	44	years	year	NNS
cord-351222-9bfchw4u	382	45	Strategies	strategy	NNS
cord-351222-9bfchw4u	382	46	for	for	IN
cord-351222-9bfchw4u	382	47	discovering	discover	VBG
cord-351222-9bfchw4u	382	48	drugs	drug	NNS
cord-351222-9bfchw4u	382	49	from	from	IN
cord-351222-9bfchw4u	382	50	previously	previously	RB
cord-351222-9bfchw4u	382	51	unexplored	unexplored	JJ
cord-351222-9bfchw4u	382	52	natural	natural	JJ
cord-351222-9bfchw4u	382	53	products	product	NNS
cord-351222-9bfchw4u	382	54	Lessons	lesson	NNS
cord-351222-9bfchw4u	382	55	from	from	IN
cord-351222-9bfchw4u	382	56	natural	natural	JJ
cord-351222-9bfchw4u	382	57	molecules	molecule	NNS
cord-351222-9bfchw4u	383	1	The	the	DT
cord-351222-9bfchw4u	383	2	role	role	NN
cord-351222-9bfchw4u	383	3	of	of	IN
cord-351222-9bfchw4u	383	4	pharmacognosy	pharmacognosy	NN
cord-351222-9bfchw4u	383	5	in	in	IN
cord-351222-9bfchw4u	383	6	modern	modern	JJ
cord-351222-9bfchw4u	383	7	medicine	medicine	NN
cord-351222-9bfchw4u	383	8	and	and	CC
cord-351222-9bfchw4u	383	9	pharmacy	pharmacy	NN
cord-351222-9bfchw4u	383	10	Rediscovery	Rediscovery	NNP
cord-351222-9bfchw4u	383	11	of	of	IN
cord-351222-9bfchw4u	383	12	known	know	VBN
cord-351222-9bfchw4u	383	13	natural	natural	JJ
cord-351222-9bfchw4u	383	14	compounds	compound	NNS
cord-351222-9bfchw4u	383	15	:	:	:
cord-351222-9bfchw4u	384	1	Nuisance	nuisance	NN
cord-351222-9bfchw4u	384	2	or	or	CC
cord-351222-9bfchw4u	384	3	goldmine	goldmine	JJ
cord-351222-9bfchw4u	384	4	Strasburger	Strasburger	NNP
cord-351222-9bfchw4u	384	5	-Lehrbuch	-lehrbuch	NN
cord-351222-9bfchw4u	384	6	der	der	NNP
cord-351222-9bfchw4u	384	7	Botanik	Botanik	NNP
cord-351222-9bfchw4u	384	8	,	,	,
cord-351222-9bfchw4u	384	9	35	35	CD
cord-351222-9bfchw4u	384	10	.	.	.
cord-351222-9bfchw4u	385	1	Auflage	Auflage	NNP
cord-351222-9bfchw4u	385	2	,	,	,
cord-351222-9bfchw4u	385	3	Spektrum	Spektrum	NNP
cord-351222-9bfchw4u	385	4	Akademischer	Akademischer	NNP
cord-351222-9bfchw4u	385	5	Verlag	Verlag	NNP
cord-351222-9bfchw4u	385	6	Plant	Plant	NNP
cord-351222-9bfchw4u	385	7	-	-	HYPH
cord-351222-9bfchw4u	385	8	derived	derive	VBN
cord-351222-9bfchw4u	385	9	natural	natural	JJ
cord-351222-9bfchw4u	385	10	products	product	NNS
cord-351222-9bfchw4u	385	11	in	in	IN
cord-351222-9bfchw4u	385	12	drug	drug	NN
cord-351222-9bfchw4u	385	13	discovery	discovery	NN
cord-351222-9bfchw4u	385	14	and	and	CC
cord-351222-9bfchw4u	385	15	development	development	NN
cord-351222-9bfchw4u	385	16	:	:	:
cord-351222-9bfchw4u	385	17	an	an	DT
cord-351222-9bfchw4u	385	18	overview	overview	NN
cord-351222-9bfchw4u	385	19	Natural	natural	JJ
cord-351222-9bfchw4u	385	20	products	product	NNS
cord-351222-9bfchw4u	385	21	in	in	IN
cord-351222-9bfchw4u	385	22	drug	drug	NN
cord-351222-9bfchw4u	385	23	discovery	discovery	NN
cord-351222-9bfchw4u	385	24	and	and	CC
cord-351222-9bfchw4u	385	25	development	development	NN
cord-351222-9bfchw4u	385	26	Statistical	statistical	JJ
cord-351222-9bfchw4u	385	27	investigation	investigation	NN
cord-351222-9bfchw4u	385	28	into	into	IN
cord-351222-9bfchw4u	385	29	the	the	DT
cord-351222-9bfchw4u	385	30	structural	structural	JJ
cord-351222-9bfchw4u	385	31	complementarity	complementarity	NN
cord-351222-9bfchw4u	385	32	of	of	IN
cord-351222-9bfchw4u	385	33	natural	natural	JJ
cord-351222-9bfchw4u	385	34	products	product	NNS
cord-351222-9bfchw4u	385	35	and	and	CC
cord-351222-9bfchw4u	385	36	synthetic	synthetic	JJ
cord-351222-9bfchw4u	385	37	compounds	compound	NNS
cord-351222-9bfchw4u	385	38	Initial	initial	JJ
cord-351222-9bfchw4u	385	39	sequencing	sequencing	NN
cord-351222-9bfchw4u	385	40	and	and	CC
cord-351222-9bfchw4u	385	41	analysis	analysis	NN
cord-351222-9bfchw4u	385	42	of	of	IN
cord-351222-9bfchw4u	385	43	the	the	DT
cord-351222-9bfchw4u	385	44	human	human	JJ
cord-351222-9bfchw4u	385	45	genome	genome	NN
cord-351222-9bfchw4u	386	1	Recent	recent	JJ
cord-351222-9bfchw4u	386	2	developments	development	NNS
cord-351222-9bfchw4u	386	3	in	in	IN
cord-351222-9bfchw4u	386	4	computational	computational	JJ
cord-351222-9bfchw4u	386	5	proteomics	proteomic	NNS
cord-351222-9bfchw4u	386	6	Natural	natural	JJ
cord-351222-9bfchw4u	386	7	products	product	NNS
cord-351222-9bfchw4u	386	8	in	in	IN
cord-351222-9bfchw4u	386	9	drug	drug	NN
cord-351222-9bfchw4u	386	10	discovery	discovery	NN
cord-351222-9bfchw4u	386	11	-concepts	-concepts	,
cord-351222-9bfchw4u	386	12	and	and	CC
cord-351222-9bfchw4u	386	13	approaches	approach	VBZ
cord-351222-9bfchw4u	386	14	for	for	IN
cord-351222-9bfchw4u	386	15	tracking	track	VBG
cord-351222-9bfchw4u	386	16	bioactivity	bioactivity	NN
cord-351222-9bfchw4u	386	17	Targeted	target	VBN
cord-351222-9bfchw4u	386	18	approaches	approach	NNS
cord-351222-9bfchw4u	386	19	in	in	IN
cord-351222-9bfchw4u	386	20	natural	natural	JJ
cord-351222-9bfchw4u	386	21	product	product	NN
cord-351222-9bfchw4u	386	22	lead	lead	NN
cord-351222-9bfchw4u	386	23	discovery	discovery	NN
cord-351222-9bfchw4u	386	24	Mining	Mining	NNP
cord-351222-9bfchw4u	386	25	information	information	NN
cord-351222-9bfchw4u	386	26	from	from	IN
cord-351222-9bfchw4u	386	27	databases	database	NNS
cord-351222-9bfchw4u	386	28	for	for	IN
cord-351222-9bfchw4u	386	29	drug	drug	NN
cord-351222-9bfchw4u	386	30	discovery	discovery	NN
cord-351222-9bfchw4u	387	1	Neural	neural	JJ
cord-351222-9bfchw4u	387	2	networks	network	NNS
cord-351222-9bfchw4u	387	3	as	as	IN
cord-351222-9bfchw4u	387	4	data	datum	NNS
cord-351222-9bfchw4u	387	5	mining	mining	NN
cord-351222-9bfchw4u	387	6	tools	tool	NNS
cord-351222-9bfchw4u	387	7	in	in	IN
cord-351222-9bfchw4u	387	8	drug	drug	NN
cord-351222-9bfchw4u	387	9	design	design	NN
cord-351222-9bfchw4u	387	10	Chemoinformatics	chemoinformatic	NNS
cord-351222-9bfchw4u	387	11	and	and	CC
cord-351222-9bfchw4u	387	12	drug	drug	NN
cord-351222-9bfchw4u	387	13	discovery	discovery	NN
cord-351222-9bfchw4u	388	1	Virtual	virtual	JJ
cord-351222-9bfchw4u	388	2	screening	screening	NN
cord-351222-9bfchw4u	388	3	in	in	IN
cord-351222-9bfchw4u	388	4	drug	drug	NN
cord-351222-9bfchw4u	388	5	discovery	discovery	NN
cord-351222-9bfchw4u	389	1	The	the	DT
cord-351222-9bfchw4u	389	2	impact	impact	NN
cord-351222-9bfchw4u	389	3	of	of	IN
cord-351222-9bfchw4u	389	4	informatics	informatic	NNS
cord-351222-9bfchw4u	389	5	and	and	CC
cord-351222-9bfchw4u	389	6	computational	computational	JJ
cord-351222-9bfchw4u	389	7	chemistry	chemistry	NN
cord-351222-9bfchw4u	389	8	on	on	IN
cord-351222-9bfchw4u	389	9	synthesis	synthesis	NN
cord-351222-9bfchw4u	389	10	and	and	CC
cord-351222-9bfchw4u	389	11	screening	screen	VBG
cord-351222-9bfchw4u	389	12	Virtual	virtual	JJ
cord-351222-9bfchw4u	389	13	screening	screening	NN
cord-351222-9bfchw4u	389	14	:	:	:
cord-351222-9bfchw4u	389	15	an	an	DT
cord-351222-9bfchw4u	389	16	effective	effective	JJ
cord-351222-9bfchw4u	389	17	tool	tool	NN
cord-351222-9bfchw4u	389	18	for	for	IN
cord-351222-9bfchw4u	389	19	lead	lead	JJ
cord-351222-9bfchw4u	389	20	structure	structure	NN
cord-351222-9bfchw4u	389	21	discovery	discovery	NN
cord-351222-9bfchw4u	389	22	?	?	.
cord-351222-9bfchw4u	390	1	Virtual	virtual	JJ
cord-351222-9bfchw4u	390	2	screening	screening	NN
cord-351222-9bfchw4u	390	3	for	for	IN
cord-351222-9bfchw4u	390	4	bioactive	bioactive	JJ
cord-351222-9bfchw4u	390	5	molecules	molecule	NNS
cord-351222-9bfchw4u	391	1	Recent	recent	JJ
cord-351222-9bfchw4u	391	2	advances	advance	NNS
cord-351222-9bfchw4u	391	3	in	in	IN
cord-351222-9bfchw4u	391	4	docking	docking	NN
cord-351222-9bfchw4u	391	5	and	and	CC
cord-351222-9bfchw4u	391	6	scoring	score	VBG
cord-351222-9bfchw4u	391	7	High	high	JJ
cord-351222-9bfchw4u	391	8	-	-	HYPH
cord-351222-9bfchw4u	391	9	throughput	throughput	NN
cord-351222-9bfchw4u	391	10	docking	docking	NN
cord-351222-9bfchw4u	391	11	for	for	IN
cord-351222-9bfchw4u	391	12	lead	lead	JJ
cord-351222-9bfchw4u	391	13	generation	generation	NN
cord-351222-9bfchw4u	391	14	Virtual	virtual	JJ
cord-351222-9bfchw4u	391	15	screening	screening	NN
cord-351222-9bfchw4u	391	16	and	and	CC
cord-351222-9bfchw4u	391	17	fast	fast	JJ
cord-351222-9bfchw4u	391	18	automated	automate	VBN
cord-351222-9bfchw4u	391	19	docking	docking	NN
cord-351222-9bfchw4u	391	20	methods	method	NNS
cord-351222-9bfchw4u	392	1	Lead	lead	VB
cord-351222-9bfchw4u	392	2	discovery	discovery	NN
cord-351222-9bfchw4u	392	3	using	use	VBG
cord-351222-9bfchw4u	392	4	molecular	molecular	JJ
cord-351222-9bfchw4u	392	5	docking	dock	VBG
cord-351222-9bfchw4u	392	6	Detailed	detailed	JJ
cord-351222-9bfchw4u	392	7	analysis	analysis	NN
cord-351222-9bfchw4u	392	8	of	of	IN
cord-351222-9bfchw4u	392	9	scoring	scoring	NN
cord-351222-9bfchw4u	392	10	functions	function	NNS
cord-351222-9bfchw4u	392	11	for	for	IN
cord-351222-9bfchw4u	392	12	virtual	virtual	JJ
cord-351222-9bfchw4u	392	13	screening	screening	NN
cord-351222-9bfchw4u	392	14	Consensus	Consensus	NNP
cord-351222-9bfchw4u	392	15	scoring	scoring	NN
cord-351222-9bfchw4u	392	16	:	:	:
cord-351222-9bfchw4u	392	17	a	a	DT
cord-351222-9bfchw4u	392	18	method	method	NN
cord-351222-9bfchw4u	392	19	for	for	IN
cord-351222-9bfchw4u	392	20	obtaining	obtain	VBG
cord-351222-9bfchw4u	392	21	improved	improve	VBN
cord-351222-9bfchw4u	392	22	hit	hit	NN
cord-351222-9bfchw4u	392	23	rates	rate	NNS
cord-351222-9bfchw4u	392	24	from	from	IN
cord-351222-9bfchw4u	392	25	docking	docking	NN
cord-351222-9bfchw4u	392	26	databases	database	NNS
cord-351222-9bfchw4u	392	27	of	of	IN
cord-351222-9bfchw4u	392	28	three	three	CD
cord-351222-9bfchw4u	392	29	-	-	HYPH
cord-351222-9bfchw4u	392	30	dimensional	dimensional	JJ
cord-351222-9bfchw4u	392	31	structures	structure	NNS
cord-351222-9bfchw4u	392	32	into	into	IN
cord-351222-9bfchw4u	392	33	proteins	protein	NNS
cord-351222-9bfchw4u	393	1	How	how	WRB
cord-351222-9bfchw4u	393	2	does	do	VBZ
cord-351222-9bfchw4u	393	3	consensus	consensus	NN
cord-351222-9bfchw4u	393	4	scoring	score	VBG
cord-351222-9bfchw4u	393	5	work	work	NN
cord-351222-9bfchw4u	393	6	for	for	IN
cord-351222-9bfchw4u	393	7	virtual	virtual	JJ
cord-351222-9bfchw4u	393	8	library	library	NN
cord-351222-9bfchw4u	393	9	screening	screening	NN
cord-351222-9bfchw4u	393	10	?	?	.
cord-351222-9bfchw4u	394	1	An	an	DT
cord-351222-9bfchw4u	394	2	idealized	idealized	JJ
cord-351222-9bfchw4u	394	3	computer	computer	NN
cord-351222-9bfchw4u	394	4	experiment	experiment	NN
cord-351222-9bfchw4u	395	1	SARS	SARS	NNP
cord-351222-9bfchw4u	395	2	-	-	HYPH
cord-351222-9bfchw4u	395	3	CoV	CoV	NNP
cord-351222-9bfchw4u	395	4	protease	protease	NN
cord-351222-9bfchw4u	395	5	inhibitors	inhibitor	NNS
cord-351222-9bfchw4u	395	6	design	design	VBP
cord-351222-9bfchw4u	395	7	using	use	VBG
cord-351222-9bfchw4u	395	8	virtual	virtual	JJ
cord-351222-9bfchw4u	395	9	screening	screening	NN
cord-351222-9bfchw4u	395	10	method	method	NN
cord-351222-9bfchw4u	395	11	from	from	IN
cord-351222-9bfchw4u	395	12	natural	natural	JJ
cord-351222-9bfchw4u	395	13	products	product	NNS
cord-351222-9bfchw4u	395	14	libraries	library	NNS
cord-351222-9bfchw4u	395	15	Sabadinine	Sabadinine	NNP
cord-351222-9bfchw4u	395	16	:	:	:
cord-351222-9bfchw4u	395	17	a	a	DT
cord-351222-9bfchw4u	395	18	potential	potential	JJ
cord-351222-9bfchw4u	395	19	nonpeptide	nonpeptide	JJ
cord-351222-9bfchw4u	395	20	anti	anti	JJ
cord-351222-9bfchw4u	395	21	-	-	JJ
cord-351222-9bfchw4u	395	22	severe	severe	JJ
cord-351222-9bfchw4u	395	23	acute	acute	JJ
cord-351222-9bfchw4u	395	24	-	-	HYPH
cord-351222-9bfchw4u	395	25	respiratory	respiratory	JJ
cord-351222-9bfchw4u	395	26	-	-	HYPH
cord-351222-9bfchw4u	395	27	syndrome	syndrome	NN
cord-351222-9bfchw4u	395	28	agent	agent	NN
cord-351222-9bfchw4u	395	29	identified	identify	VBD
cord-351222-9bfchw4u	395	30	using	use	VBG
cord-351222-9bfchw4u	395	31	structure	structure	NN
cord-351222-9bfchw4u	395	32	-	-	HYPH
cord-351222-9bfchw4u	395	33	aided	aid	VBN
cord-351222-9bfchw4u	395	34	design	design	NN
cord-351222-9bfchw4u	395	35	Identification	identification	NN
cord-351222-9bfchw4u	395	36	of	of	IN
cord-351222-9bfchw4u	395	37	ellagic	ellagic	JJ
cord-351222-9bfchw4u	395	38	acid	acid	NN
cord-351222-9bfchw4u	395	39	as	as	IN
cord-351222-9bfchw4u	395	40	potent	potent	JJ
cord-351222-9bfchw4u	395	41	inhibitor	inhibitor	NN
cord-351222-9bfchw4u	395	42	of	of	IN
cord-351222-9bfchw4u	395	43	protein	protein	NN
cord-351222-9bfchw4u	395	44	kinase	kinase	NN
cord-351222-9bfchw4u	395	45	CK2	CK2	NNP
cord-351222-9bfchw4u	395	46	:	:	:
cord-351222-9bfchw4u	395	47	a	a	DT
cord-351222-9bfchw4u	395	48	successful	successful	JJ
cord-351222-9bfchw4u	395	49	example	example	NN
cord-351222-9bfchw4u	395	50	of	of	IN
cord-351222-9bfchw4u	395	51	a	a	DT
cord-351222-9bfchw4u	395	52	virtual	virtual	JJ
cord-351222-9bfchw4u	395	53	screening	screening	NN
cord-351222-9bfchw4u	395	54	application	application	NN
cord-351222-9bfchw4u	395	55	Structure	structure	NN
cord-351222-9bfchw4u	395	56	-	-	HYPH
cord-351222-9bfchw4u	395	57	based	base	VBN
cord-351222-9bfchw4u	395	58	virtual	virtual	JJ
cord-351222-9bfchw4u	395	59	screening	screening	NN
cord-351222-9bfchw4u	395	60	for	for	IN
cord-351222-9bfchw4u	395	61	plant	plant	NN
cord-351222-9bfchw4u	395	62	-	-	HYPH
cord-351222-9bfchw4u	395	63	based	base	VBN
cord-351222-9bfchw4u	395	64	ER	ER	NNP
cord-351222-9bfchw4u	395	65	-selective	-selective	CD
cord-351222-9bfchw4u	395	66	ligands	ligand	NNS
cord-351222-9bfchw4u	395	67	as	as	IN
cord-351222-9bfchw4u	395	68	potential	potential	JJ
cord-351222-9bfchw4u	395	69	preventative	preventative	JJ
cord-351222-9bfchw4u	395	70	therapy	therapy	NN
cord-351222-9bfchw4u	395	71	against	against	IN
cord-351222-9bfchw4u	395	72	age	age	NN
cord-351222-9bfchw4u	395	73	-	-	HYPH
cord-351222-9bfchw4u	395	74	related	relate	VBN
cord-351222-9bfchw4u	395	75	neuro	neuro	JJ
cord-351222-9bfchw4u	395	76	-	-	HYPH
cord-351222-9bfchw4u	395	77	degenerative	degenerative	JJ
cord-351222-9bfchw4u	395	78	diseases	disease	NNS
cord-351222-9bfchw4u	395	79	Structure	structure	NN
cord-351222-9bfchw4u	395	80	-	-	HYPH
cord-351222-9bfchw4u	395	81	based	base	VBN
cord-351222-9bfchw4u	395	82	discovery	discovery	NN
cord-351222-9bfchw4u	395	83	of	of	IN
cord-351222-9bfchw4u	395	84	potassium	potassium	NN
cord-351222-9bfchw4u	395	85	channel	channel	NN
cord-351222-9bfchw4u	395	86	blockers	blocker	NNS
cord-351222-9bfchw4u	395	87	from	from	IN
cord-351222-9bfchw4u	395	88	natural	natural	JJ
cord-351222-9bfchw4u	395	89	products	product	NNS
cord-351222-9bfchw4u	395	90	virtual	virtual	JJ
cord-351222-9bfchw4u	395	91	screening	screening	NN
cord-351222-9bfchw4u	395	92	and	and	CC
cord-351222-9bfchw4u	395	93	electrophysiological	electrophysiological	JJ
cord-351222-9bfchw4u	395	94	assay	assay	NN
cord-351222-9bfchw4u	395	95	testing	test	VBG
cord-351222-9bfchw4u	395	96	Pharmacophore	Pharmacophore	NNP
cord-351222-9bfchw4u	395	97	modelling	modelling	NN
cord-351222-9bfchw4u	395	98	:	:	:
cord-351222-9bfchw4u	395	99	applications	application	NNS
cord-351222-9bfchw4u	395	100	in	in	IN
cord-351222-9bfchw4u	395	101	drug	drug	NN
cord-351222-9bfchw4u	395	102	discovery	discovery	NN
cord-351222-9bfchw4u	396	1	Molecular	molecular	JJ
cord-351222-9bfchw4u	396	2	docking	docking	NN
cord-351222-9bfchw4u	396	3	and	and	CC
cord-351222-9bfchw4u	396	4	high	high	JJ
cord-351222-9bfchw4u	396	5	-	-	HYPH
cord-351222-9bfchw4u	396	6	throughput	throughput	NN
cord-351222-9bfchw4u	396	7	screening	screening	NN
cord-351222-9bfchw4u	396	8	for	for	IN
cord-351222-9bfchw4u	396	9	novel	novel	JJ
cord-351222-9bfchw4u	396	10	inhibitors	inhibitor	NNS
cord-351222-9bfchw4u	396	11	of	of	IN
cord-351222-9bfchw4u	396	12	protein	protein	NN
cord-351222-9bfchw4u	396	13	tyrosine	tyrosine	NN
cord-351222-9bfchw4u	396	14	phosphatase-1B	phosphatase-1B	NNP
cord-351222-9bfchw4u	396	15	Rational	rational	JJ
cord-351222-9bfchw4u	396	16	selection	selection	NN
cord-351222-9bfchw4u	396	17	of	of	IN
cord-351222-9bfchw4u	396	18	structurally	structurally	RB
cord-351222-9bfchw4u	396	19	diverse	diverse	JJ
cord-351222-9bfchw4u	396	20	natural	natural	JJ
cord-351222-9bfchw4u	396	21	product	product	NN
cord-351222-9bfchw4u	396	22	scaffolds	scaffold	NNS
cord-351222-9bfchw4u	396	23	with	with	IN
cord-351222-9bfchw4u	396	24	favorable	favorable	JJ
cord-351222-9bfchw4u	396	25	ADME	ADME	NNP
cord-351222-9bfchw4u	396	26	properties	property	NNS
cord-351222-9bfchw4u	396	27	for	for	IN
cord-351222-9bfchw4u	396	28	drug	drug	NN
cord-351222-9bfchw4u	396	29	discovery	discovery	NN
cord-351222-9bfchw4u	396	30	Drugs	drug	NNS
cord-351222-9bfchw4u	396	31	?	?	.
cord-351222-9bfchw4u	397	1	Drug	drug	NN
cord-351222-9bfchw4u	397	2	research	research	NN
cord-351222-9bfchw4u	397	3	?	?	.
cord-351222-9bfchw4u	398	1	Advances	advance	NNS
cord-351222-9bfchw4u	398	2	in	in	IN
cord-351222-9bfchw4u	398	3	drug	drug	NN
cord-351222-9bfchw4u	398	4	research	research	NN
cord-351222-9bfchw4u	398	5	?	?	.
cord-351222-9bfchw4u	399	1	Musings	musing	NNS
cord-351222-9bfchw4u	399	2	of	of	IN
cord-351222-9bfchw4u	399	3	a	a	DT
cord-351222-9bfchw4u	399	4	medicinal	medicinal	JJ
cord-351222-9bfchw4u	399	5	chemist	chemist	NN
cord-351222-9bfchw4u	399	6	Pharmacokinetics	pharmacokinetic	NNS
cord-351222-9bfchw4u	399	7	and	and	CC
cord-351222-9bfchw4u	399	8	metabolism	metabolism	NN
cord-351222-9bfchw4u	399	9	in	in	IN
cord-351222-9bfchw4u	399	10	drug	drug	NN
cord-351222-9bfchw4u	399	11	design	design	NN
cord-351222-9bfchw4u	399	12	Physicochemical	Physicochemical	NNP
cord-351222-9bfchw4u	399	13	profiling	profile	VBG
cord-351222-9bfchw4u	399	14	in	in	RP
cord-351222-9bfchw4u	399	15	drug	drug	NN
cord-351222-9bfchw4u	399	16	research	research	NN
cord-351222-9bfchw4u	399	17	:	:	:
cord-351222-9bfchw4u	399	18	a	a	DT
cord-351222-9bfchw4u	399	19	brief	brief	JJ
cord-351222-9bfchw4u	399	20	survey	survey	NN
cord-351222-9bfchw4u	399	21	of	of	IN
cord-351222-9bfchw4u	399	22	the	the	DT
cord-351222-9bfchw4u	399	23	state	state	NN
cord-351222-9bfchw4u	399	24	-	-	HYPH
cord-351222-9bfchw4u	399	25	of	of	IN
cord-351222-9bfchw4u	399	26	-	-	HYPH
cord-351222-9bfchw4u	399	27	the	the	DT
cord-351222-9bfchw4u	399	28	-	-	HYPH
cord-351222-9bfchw4u	399	29	art	art	NN
cord-351222-9bfchw4u	399	30	of	of	IN
cord-351222-9bfchw4u	399	31	experimental	experimental	JJ
cord-351222-9bfchw4u	399	32	techniques	technique	NNS
cord-351222-9bfchw4u	399	33	Property	property	NN
cord-351222-9bfchw4u	399	34	distributions	distribution	NNS
cord-351222-9bfchw4u	399	35	:	:	:
cord-351222-9bfchw4u	399	36	differences	difference	NNS
cord-351222-9bfchw4u	399	37	between	between	IN
cord-351222-9bfchw4u	399	38	drugs	drug	NNS
cord-351222-9bfchw4u	399	39	,	,	,
cord-351222-9bfchw4u	399	40	natural	natural	JJ
cord-351222-9bfchw4u	399	41	products	product	NNS
cord-351222-9bfchw4u	399	42	,	,	,
cord-351222-9bfchw4u	399	43	and	and	CC
cord-351222-9bfchw4u	399	44	molecules	molecule	NNS
cord-351222-9bfchw4u	399	45	from	from	IN
cord-351222-9bfchw4u	399	46	combinatorial	combinatorial	JJ
cord-351222-9bfchw4u	399	47	chemistry	chemistry	NN
cord-351222-9bfchw4u	399	48	Distinguishing	distinguish	VBG
cord-351222-9bfchw4u	399	49	between	between	IN
cord-351222-9bfchw4u	399	50	natural	natural	JJ
cord-351222-9bfchw4u	399	51	products	product	NNS
cord-351222-9bfchw4u	399	52	and	and	CC
cord-351222-9bfchw4u	399	53	synthetic	synthetic	JJ
cord-351222-9bfchw4u	399	54	molecules	molecule	NNS
cord-351222-9bfchw4u	399	55	by	by	IN
cord-351222-9bfchw4u	399	56	descriptor	descriptor	NN
cord-351222-9bfchw4u	399	57	Shannon	Shannon	NNP
cord-351222-9bfchw4u	399	58	entropy	entropy	NN
cord-351222-9bfchw4u	399	59	analysis	analysis	NN
cord-351222-9bfchw4u	399	60	and	and	CC
cord-351222-9bfchw4u	399	61	binary	binary	JJ
cord-351222-9bfchw4u	399	62	QSAR	QSAR	NNP
cord-351222-9bfchw4u	399	63	calculations	calculation	NNS
cord-351222-9bfchw4u	399	64	Experimental	experimental	JJ
cord-351222-9bfchw4u	399	65	and	and	CC
cord-351222-9bfchw4u	399	66	computational	computational	JJ
cord-351222-9bfchw4u	399	67	approaches	approach	NNS
cord-351222-9bfchw4u	399	68	to	to	TO
cord-351222-9bfchw4u	399	69	estimate	estimate	VB
cord-351222-9bfchw4u	399	70	solubility	solubility	NN
cord-351222-9bfchw4u	399	71	and	and	CC
cord-351222-9bfchw4u	399	72	permeability	permeability	NN
cord-351222-9bfchw4u	399	73	in	in	IN
cord-351222-9bfchw4u	399	74	drug	drug	NN
cord-351222-9bfchw4u	399	75	discovery	discovery	NN
cord-351222-9bfchw4u	399	76	and	and	CC
cord-351222-9bfchw4u	399	77	development	development	NN
cord-351222-9bfchw4u	399	78	settings	setting	NNS
cord-351222-9bfchw4u	399	79	Structural	structural	JJ
cord-351222-9bfchw4u	399	80	biology	biology	NN
cord-351222-9bfchw4u	399	81	and	and	CC
cord-351222-9bfchw4u	399	82	drug	drug	NN
cord-351222-9bfchw4u	399	83	discovery	discovery	NN
cord-351222-9bfchw4u	400	1	The	the	DT
cord-351222-9bfchw4u	400	2	protein	protein	NN
cord-351222-9bfchw4u	400	3	data	datum	NNS
cord-351222-9bfchw4u	400	4	bank	bank	NN
cord-351222-9bfchw4u	400	5	LigandScout	LigandScout	NNP
cord-351222-9bfchw4u	400	6	:	:	:
cord-351222-9bfchw4u	400	7	3D	3D	NNP
cord-351222-9bfchw4u	400	8	pharmacophores	pharmacophore	NNS
cord-351222-9bfchw4u	400	9	derived	derive	VBN
cord-351222-9bfchw4u	400	10	from	from	IN
cord-351222-9bfchw4u	400	11	proteinbound	proteinbound	NN
cord-351222-9bfchw4u	400	12	ligands	ligand	NNS
cord-351222-9bfchw4u	400	13	and	and	CC
cord-351222-9bfchw4u	400	14	their	-PRON-	PRP$
cord-351222-9bfchw4u	400	15	use	use	NN
cord-351222-9bfchw4u	400	16	as	as	IN
cord-351222-9bfchw4u	400	17	virtual	virtual	JJ
cord-351222-9bfchw4u	400	18	screening	screening	NN
cord-351222-9bfchw4u	400	19	filters	filter	NNS
cord-351222-9bfchw4u	400	20	Pharmacophore	Pharmacophore	NNP
cord-351222-9bfchw4u	400	21	identification	identification	NN
cord-351222-9bfchw4u	400	22	,	,	,
cord-351222-9bfchw4u	400	23	in	in	IN
cord-351222-9bfchw4u	400	24	silico	silico	NN
cord-351222-9bfchw4u	400	25	screening	screening	NN
cord-351222-9bfchw4u	400	26	,	,	,
cord-351222-9bfchw4u	400	27	and	and	CC
cord-351222-9bfchw4u	400	28	virtual	virtual	JJ
cord-351222-9bfchw4u	400	29	library	library	NN
cord-351222-9bfchw4u	400	30	design	design	NN
cord-351222-9bfchw4u	400	31	for	for	IN
cord-351222-9bfchw4u	400	32	inhibitors	inhibitor	NNS
cord-351222-9bfchw4u	400	33	of	of	IN
cord-351222-9bfchw4u	400	34	the	the	DT
cord-351222-9bfchw4u	400	35	human	human	JJ
cord-351222-9bfchw4u	400	36	factor	factor	NN
cord-351222-9bfchw4u	400	37	Xa	Xa	NNP
cord-351222-9bfchw4u	400	38	Structure	Structure	NNP
cord-351222-9bfchw4u	400	39	-	-	HYPH
cord-351222-9bfchw4u	400	40	based	base	VBN
cord-351222-9bfchw4u	400	41	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	400	42	design	design	NN
cord-351222-9bfchw4u	400	43	and	and	CC
cord-351222-9bfchw4u	400	44	virtual	virtual	JJ
cord-351222-9bfchw4u	400	45	screening	screening	NN
cord-351222-9bfchw4u	400	46	for	for	IN
cord-351222-9bfchw4u	400	47	novel	novel	NN
cord-351222-9bfchw4u	400	48	angiotensin	angiotensin	NN
cord-351222-9bfchw4u	400	49	converting	convert	VBG
cord-351222-9bfchw4u	400	50	enzyme	enzyme	NN
cord-351222-9bfchw4u	400	51	2	2	CD
cord-351222-9bfchw4u	400	52	inhibitors	inhibitor	NNS
cord-351222-9bfchw4u	400	53	Structure	structure	NN
cord-351222-9bfchw4u	400	54	-	-	HYPH
cord-351222-9bfchw4u	400	55	based	base	VBN
cord-351222-9bfchw4u	400	56	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	400	57	identification	identification	NN
cord-351222-9bfchw4u	400	58	of	of	IN
cord-351222-9bfchw4u	400	59	new	new	JJ
cord-351222-9bfchw4u	400	60	chemical	chemical	NN
cord-351222-9bfchw4u	400	61	scaffolds	scaffold	NNS
cord-351222-9bfchw4u	400	62	as	as	IN
cord-351222-9bfchw4u	400	63	non	non	JJ
cord-351222-9bfchw4u	400	64	-	-	JJ
cord-351222-9bfchw4u	400	65	nucleoside	nucleoside	JJ
cord-351222-9bfchw4u	400	66	reverse	reverse	JJ
cord-351222-9bfchw4u	400	67	transcriptase	transcriptase	NN
cord-351222-9bfchw4u	400	68	inhibitors	inhibitor	NNS
cord-351222-9bfchw4u	400	69	Development	Development	NNP
cord-351222-9bfchw4u	400	70	and	and	CC
cord-351222-9bfchw4u	400	71	validation	validation	NN
cord-351222-9bfchw4u	400	72	of	of	IN
cord-351222-9bfchw4u	400	73	an	an	DT
cord-351222-9bfchw4u	400	74	in	in	IN
cord-351222-9bfchw4u	400	75	silico	silico	NN
cord-351222-9bfchw4u	400	76	P450	p450	NN
cord-351222-9bfchw4u	400	77	profiler	profiler	NN
cord-351222-9bfchw4u	400	78	based	base	VBN
cord-351222-9bfchw4u	400	79	on	on	IN
cord-351222-9bfchw4u	400	80	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	400	81	models	model	NNS
cord-351222-9bfchw4u	400	82	Parallel	parallel	JJ
cord-351222-9bfchw4u	400	83	screening	screening	NN
cord-351222-9bfchw4u	400	84	:	:	:
cord-351222-9bfchw4u	401	1	a	a	DT
cord-351222-9bfchw4u	401	2	novel	novel	JJ
cord-351222-9bfchw4u	401	3	concept	concept	NN
cord-351222-9bfchw4u	401	4	in	in	IN
cord-351222-9bfchw4u	401	5	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	401	6	modelling	modelling	NN
cord-351222-9bfchw4u	401	7	and	and	CC
cord-351222-9bfchw4u	401	8	virtual	virtual	JJ
cord-351222-9bfchw4u	401	9	screening	screening	NN
cord-351222-9bfchw4u	401	10	High	high	JJ
cord-351222-9bfchw4u	401	11	throughput	throughput	NN
cord-351222-9bfchw4u	401	12	structure	structure	NN
cord-351222-9bfchw4u	401	13	-	-	HYPH
cord-351222-9bfchw4u	401	14	based	base	VBN
cord-351222-9bfchw4u	401	15	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	401	16	modeling	model	VBG
cord-351222-9bfchw4u	401	17	as	as	IN
cord-351222-9bfchw4u	401	18	a	a	DT
cord-351222-9bfchw4u	401	19	basis	basis	NN
cord-351222-9bfchw4u	401	20	for	for	IN
cord-351222-9bfchw4u	401	21	successful	successful	JJ
cord-351222-9bfchw4u	401	22	parallel	parallel	JJ
cord-351222-9bfchw4u	401	23	virtual	virtual	JJ
cord-351222-9bfchw4u	401	24	screening	screening	NN
cord-351222-9bfchw4u	401	25	Parallel	parallel	JJ
cord-351222-9bfchw4u	401	26	screening	screening	NN
cord-351222-9bfchw4u	401	27	and	and	CC
cord-351222-9bfchw4u	401	28	activity	activity	NN
cord-351222-9bfchw4u	401	29	profiling	profiling	NN
cord-351222-9bfchw4u	401	30	with	with	IN
cord-351222-9bfchw4u	401	31	HIV	HIV	NNP
cord-351222-9bfchw4u	401	32	protease	protease	NN
cord-351222-9bfchw4u	401	33	inhibitor	inhibitor	NN
cord-351222-9bfchw4u	401	34	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	401	35	models	model	NNS
cord-351222-9bfchw4u	401	36	Discovery	Discovery	NNP
cord-351222-9bfchw4u	401	37	of	of	IN
cord-351222-9bfchw4u	401	38	embelin	embelin	NNP
cord-351222-9bfchw4u	401	39	as	as	IN
cord-351222-9bfchw4u	401	40	a	a	DT
cord-351222-9bfchw4u	401	41	cell	cell	NN
cord-351222-9bfchw4u	401	42	-	-	HYPH
cord-351222-9bfchw4u	401	43	permeable	permeable	JJ
cord-351222-9bfchw4u	401	44	,	,	,
cord-351222-9bfchw4u	401	45	small	small	JJ
cord-351222-9bfchw4u	401	46	-	-	HYPH
cord-351222-9bfchw4u	401	47	molecular	molecular	JJ
cord-351222-9bfchw4u	401	48	weight	weight	NN
cord-351222-9bfchw4u	401	49	inhibitor	inhibitor	NN
cord-351222-9bfchw4u	401	50	of	of	IN
cord-351222-9bfchw4u	401	51	XIAP	xiap	NN
cord-351222-9bfchw4u	401	52	through	through	IN
cord-351222-9bfchw4u	401	53	structure	structure	NN
cord-351222-9bfchw4u	401	54	-	-	HYPH
cord-351222-9bfchw4u	401	55	based	base	VBN
cord-351222-9bfchw4u	401	56	computational	computational	JJ
cord-351222-9bfchw4u	401	57	screening	screening	NN
cord-351222-9bfchw4u	401	58	of	of	IN
cord-351222-9bfchw4u	401	59	a	a	DT
cord-351222-9bfchw4u	401	60	traditional	traditional	JJ
cord-351222-9bfchw4u	401	61	herbal	herbal	JJ
cord-351222-9bfchw4u	401	62	medicine	medicine	NN
cord-351222-9bfchw4u	401	63	three	three	CD
cord-351222-9bfchw4u	401	64	-	-	HYPH
cord-351222-9bfchw4u	401	65	dimensional	dimensional	JJ
cord-351222-9bfchw4u	401	66	structure	structure	NN
cord-351222-9bfchw4u	401	67	database	database	NN
cord-351222-9bfchw4u	401	68	Structural	structural	JJ
cord-351222-9bfchw4u	401	69	basis	basis	NN
cord-351222-9bfchw4u	401	70	of	of	IN
cord-351222-9bfchw4u	401	71	IAP	IAP	NNP
cord-351222-9bfchw4u	401	72	recognition	recognition	NN
cord-351222-9bfchw4u	401	73	by	by	IN
cord-351222-9bfchw4u	401	74	Smac	Smac	NNP
cord-351222-9bfchw4u	401	75	/	/	SYM
cord-351222-9bfchw4u	401	76	DIABLO	DIABLO	NNP
cord-351222-9bfchw4u	401	77	Acetylcholinesterase	Acetylcholinesterase	NNP
cord-351222-9bfchw4u	401	78	inhibitory	inhibitory	JJ
cord-351222-9bfchw4u	401	79	activity	activity	NN
cord-351222-9bfchw4u	401	80	of	of	IN
cord-351222-9bfchw4u	401	81	scopolin	scopolin	NNP
cord-351222-9bfchw4u	401	82	and	and	CC
cord-351222-9bfchw4u	401	83	scopoletin	scopoletin	NNP
cord-351222-9bfchw4u	401	84	discovered	discover	VBN
cord-351222-9bfchw4u	401	85	by	by	IN
cord-351222-9bfchw4u	401	86	virtual	virtual	JJ
cord-351222-9bfchw4u	401	87	screening	screening	NN
cord-351222-9bfchw4u	401	88	of	of	IN
cord-351222-9bfchw4u	401	89	natural	natural	JJ
cord-351222-9bfchw4u	401	90	products	product	NNS
cord-351222-9bfchw4u	401	91	Chemical	Chemical	NNP
cord-351222-9bfchw4u	401	92	feature	feature	NN
cord-351222-9bfchw4u	401	93	-	-	HYPH
cord-351222-9bfchw4u	401	94	based	base	VBN
cord-351222-9bfchw4u	401	95	pharmacophores	pharmacophore	NNS
cord-351222-9bfchw4u	401	96	and	and	CC
cord-351222-9bfchw4u	401	97	virtual	virtual	JJ
cord-351222-9bfchw4u	401	98	library	library	NN
cord-351222-9bfchw4u	401	99	screening	screening	NN
cord-351222-9bfchw4u	401	100	for	for	IN
cord-351222-9bfchw4u	401	101	discovery	discovery	NN
cord-351222-9bfchw4u	401	102	of	of	IN
cord-351222-9bfchw4u	401	103	new	new	JJ
cord-351222-9bfchw4u	401	104	leads	lead	VBZ
cord-351222-9bfchw4u	401	105	The	the	DT
cord-351222-9bfchw4u	401	106	discovery	discovery	NN
cord-351222-9bfchw4u	401	107	of	of	IN
cord-351222-9bfchw4u	401	108	new	new	JJ
cord-351222-9bfchw4u	401	109	11	11	CD
cord-351222-9bfchw4u	401	110	-hydroxysteroid	-hydroxysteroid	JJ
cord-351222-9bfchw4u	401	111	dehydrogenase	dehydrogenase	NN
cord-351222-9bfchw4u	401	112	Type	type	NN
cord-351222-9bfchw4u	401	113	1	1	CD
cord-351222-9bfchw4u	401	114	inhibitors	inhibitor	NNS
cord-351222-9bfchw4u	401	115	by	by	IN
cord-351222-9bfchw4u	401	116	common	common	JJ
cord-351222-9bfchw4u	401	117	feature	feature	NN
cord-351222-9bfchw4u	401	118	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	401	119	modeling	modeling	NN
cord-351222-9bfchw4u	401	120	and	and	CC
cord-351222-9bfchw4u	401	121	virtual	virtual	JJ
cord-351222-9bfchw4u	401	122	screening	screening	NN
cord-351222-9bfchw4u	401	123	Pharmacophore	Pharmacophore	NNP
cord-351222-9bfchw4u	401	124	modeling	modeling	NN
cord-351222-9bfchw4u	401	125	and	and	CC
cord-351222-9bfchw4u	401	126	in	in	IN
cord-351222-9bfchw4u	401	127	silico	silico	NN
cord-351222-9bfchw4u	401	128	screening	screening	NN
cord-351222-9bfchw4u	401	129	for	for	IN
cord-351222-9bfchw4u	401	130	new	new	JJ
cord-351222-9bfchw4u	401	131	P450	P450	NNPS
cord-351222-9bfchw4u	401	132	19	19	CD
cord-351222-9bfchw4u	401	133	(	(	-LRB-
cord-351222-9bfchw4u	401	134	aromatase	aromatase	NN
cord-351222-9bfchw4u	401	135	)	)	-RRB-
cord-351222-9bfchw4u	401	136	inhibitors	inhibitor	NNS
cord-351222-9bfchw4u	401	137	Pharmacophore	Pharmacophore	NNP
cord-351222-9bfchw4u	401	138	modeling	model	VBG
cord-351222-9bfchw4u	401	139	and	and	CC
cord-351222-9bfchw4u	401	140	three	three	CD
cord-351222-9bfchw4u	401	141	-	-	HYPH
cord-351222-9bfchw4u	401	142	dimensional	dimensional	JJ
cord-351222-9bfchw4u	401	143	database	database	NN
cord-351222-9bfchw4u	401	144	searching	search	VBG
cord-351222-9bfchw4u	401	145	for	for	IN
cord-351222-9bfchw4u	401	146	drug	drug	NN
cord-351222-9bfchw4u	401	147	design	design	NN
cord-351222-9bfchw4u	401	148	using	use	VBG
cord-351222-9bfchw4u	401	149	Catalyst	Catalyst	NNP
cord-351222-9bfchw4u	401	150	Pharmacophore	Pharmacophore	NNP
cord-351222-9bfchw4u	401	151	modeling	model	VBG
cord-351222-9bfchw4u	401	152	and	and	CC
cord-351222-9bfchw4u	401	153	three	three	CD
cord-351222-9bfchw4u	401	154	dimensional	dimensional	JJ
cord-351222-9bfchw4u	401	155	database	database	NN
cord-351222-9bfchw4u	401	156	searching	search	VBG
cord-351222-9bfchw4u	401	157	for	for	IN
cord-351222-9bfchw4u	401	158	drug	drug	NN
cord-351222-9bfchw4u	401	159	design	design	NN
cord-351222-9bfchw4u	401	160	using	use	VBG
cord-351222-9bfchw4u	401	161	CATALYST	catalyst	NN
cord-351222-9bfchw4u	401	162	:	:	:
cord-351222-9bfchw4u	402	1	Recent	recent	JJ
cord-351222-9bfchw4u	402	2	advances	advance	VBZ
cord-351222-9bfchw4u	402	3	Novel	Novel	NNP
cord-351222-9bfchw4u	402	4	curcumin	curcumin	NN
cord-351222-9bfchw4u	402	5	-	-	HYPH
cord-351222-9bfchw4u	402	6	and	and	CC
cord-351222-9bfchw4u	402	7	emodin	emodin	NN
cord-351222-9bfchw4u	402	8	-	-	HYPH
cord-351222-9bfchw4u	402	9	related	relate	VBN
cord-351222-9bfchw4u	402	10	compounds	compound	NNS
cord-351222-9bfchw4u	402	11	identified	identify	VBN
cord-351222-9bfchw4u	402	12	by	by	IN
cord-351222-9bfchw4u	402	13	in	in	IN
cord-351222-9bfchw4u	402	14	silico	silico	NN
cord-351222-9bfchw4u	402	15	2D/3D	2d/3d	NN
cord-351222-9bfchw4u	402	16	conformer	conformer	NN
cord-351222-9bfchw4u	402	17	screening	screening	NN
cord-351222-9bfchw4u	402	18	induce	induce	VBP
cord-351222-9bfchw4u	402	19	apoptosis	apoptosis	NN
cord-351222-9bfchw4u	402	20	in	in	IN
cord-351222-9bfchw4u	403	1	tumor	tumor	NN
cord-351222-9bfchw4u	403	2	cells	cell	NNS
cord-351222-9bfchw4u	403	3	Feature	feature	VBP
cord-351222-9bfchw4u	403	4	based	base	VBN
cord-351222-9bfchw4u	403	5	pharmacophore	pharmacophore	NN
cord-351222-9bfchw4u	403	6	models	model	NNS
cord-351222-9bfchw4u	403	7	for	for	IN
cord-351222-9bfchw4u	403	8	sigma1	sigma1	NNP
cord-351222-9bfchw4u	403	9	receptor	receptor	NN
cord-351222-9bfchw4u	403	10	,	,	,
cord-351222-9bfchw4u	403	11	ERG2	ERG2	NNP
cord-351222-9bfchw4u	403	12	and	and	CC
cord-351222-9bfchw4u	403	13	EBP	ebp	VB
cord-351222-9bfchw4u	403	14	Neural	neural	JJ
cord-351222-9bfchw4u	403	15	networks	network	NNS
cord-351222-9bfchw4u	403	16	in	in	IN
cord-351222-9bfchw4u	403	17	chemistry	chemistry	NN
cord-351222-9bfchw4u	403	18	and	and	CC
cord-351222-9bfchw4u	403	19	drug	drug	NN
cord-351222-9bfchw4u	403	20	design	design	NN
cord-351222-9bfchw4u	403	21	Development	Development	NNP
cord-351222-9bfchw4u	403	22	of	of	IN
cord-351222-9bfchw4u	403	23	a	a	DT
cord-351222-9bfchw4u	403	24	structural	structural	JJ
cord-351222-9bfchw4u	403	25	model	model	NN
cord-351222-9bfchw4u	403	26	for	for	IN
cord-351222-9bfchw4u	403	27	NF	nf	NN
cord-351222-9bfchw4u	403	28	-	-	HYPH
cord-351222-9bfchw4u	403	29	B	b	NN
cord-351222-9bfchw4u	403	30	inhibition	inhibition	NN
cord-351222-9bfchw4u	403	31	of	of	IN
cord-351222-9bfchw4u	403	32	sesquiterpene	sesquiterpene	JJ
cord-351222-9bfchw4u	403	33	lactones	lactone	NNS
cord-351222-9bfchw4u	403	34	using	use	VBG
cord-351222-9bfchw4u	403	35	self	self	NN
cord-351222-9bfchw4u	403	36	-	-	HYPH
cord-351222-9bfchw4u	403	37	organizing	organize	VBG
cord-351222-9bfchw4u	403	38	neural	neural	JJ
cord-351222-9bfchw4u	403	39	networks	network	NNS
cord-351222-9bfchw4u	403	40	Virtual	virtual	JJ
cord-351222-9bfchw4u	403	41	screening	screening	NN
cord-351222-9bfchw4u	403	42	for	for	IN
cord-351222-9bfchw4u	403	43	anti	anti	JJ
cord-351222-9bfchw4u	403	44	-	-	JJ
cord-351222-9bfchw4u	403	45	HIV-1	hiv-1	JJ
cord-351222-9bfchw4u	403	46	RT	RT	NNP
cord-351222-9bfchw4u	403	47	and	and	CC
cord-351222-9bfchw4u	403	48	anti	anti	JJ
cord-351222-9bfchw4u	403	49	-	-	NNP
cord-351222-9bfchw4u	403	50	HIV-1	hiv-1	JJ
cord-351222-9bfchw4u	403	51	PR	PR	NNP
cord-351222-9bfchw4u	403	52	inhibitors	inhibitor	NNS
cord-351222-9bfchw4u	403	53	from	from	IN
cord-351222-9bfchw4u	403	54	the	the	DT
cord-351222-9bfchw4u	403	55	Thai	Thai	NNP
cord-351222-9bfchw4u	403	56	Medicinal	Medicinal	NNP
cord-351222-9bfchw4u	403	57	Plants	Plants	NNPS
cord-351222-9bfchw4u	403	58	Database	Database	NNP
cord-351222-9bfchw4u	403	59	:	:	:
cord-351222-9bfchw4u	404	1	A	a	DT
cord-351222-9bfchw4u	404	2	combined	combined	JJ
cord-351222-9bfchw4u	404	3	docking	docking	NN
cord-351222-9bfchw4u	404	4	with	with	IN
cord-351222-9bfchw4u	404	5	neural	neural	JJ
cord-351222-9bfchw4u	404	6	networks	network	NNS
cord-351222-9bfchw4u	404	7	approach	approach	NN
cord-351222-9bfchw4u	404	8	Successful	successful	JJ
cord-351222-9bfchw4u	404	9	in	in	IN
cord-351222-9bfchw4u	404	10	silico	silico	NN
cord-351222-9bfchw4u	404	11	discovery	discovery	NN
cord-351222-9bfchw4u	404	12	of	of	IN
cord-351222-9bfchw4u	404	13	novel	novel	JJ
cord-351222-9bfchw4u	404	14	nonsteroidal	nonsteroidal	JJ
cord-351222-9bfchw4u	404	15	ligands	ligand	NNS
cord-351222-9bfchw4u	404	16	for	for	IN
cord-351222-9bfchw4u	404	17	human	human	JJ
cord-351222-9bfchw4u	404	18	sex	sex	NN
cord-351222-9bfchw4u	404	19	hormone	hormone	NN
cord-351222-9bfchw4u	404	20	binding	bind	VBG
cord-351222-9bfchw4u	404	21	globulin	globulin	NN
cord-351222-9bfchw4u	404	22	Random	Random	NNP
cord-351222-9bfchw4u	404	23	Forest	Forest	NNP
cord-351222-9bfchw4u	404	24	:	:	:
cord-351222-9bfchw4u	404	25	a	a	DT
cord-351222-9bfchw4u	404	26	classification	classification	NN
cord-351222-9bfchw4u	404	27	and	and	CC
cord-351222-9bfchw4u	404	28	regression	regression	NN
cord-351222-9bfchw4u	404	29	tool	tool	NN
cord-351222-9bfchw4u	404	30	for	for	IN
cord-351222-9bfchw4u	404	31	compound	compound	NN
cord-351222-9bfchw4u	404	32	classification	classification	NN
cord-351222-9bfchw4u	404	33	and	and	CC
cord-351222-9bfchw4u	404	34	QSAR	QSAR	NNP
cord-351222-9bfchw4u	404	35	Modeling	model	VBG
cord-351222-9bfchw4u	404	36	Virtual	virtual	JJ
cord-351222-9bfchw4u	404	37	screening	screening	NN
cord-351222-9bfchw4u	404	38	of	of	IN
cord-351222-9bfchw4u	404	39	Chinese	chinese	JJ
cord-351222-9bfchw4u	404	40	herbs	herb	NNS
cord-351222-9bfchw4u	404	41	with	with	IN
cord-351222-9bfchw4u	404	42	random	random	JJ
cord-351222-9bfchw4u	404	43	forest	forest	NN
cord-351222-9bfchw4u	404	44	Comparative	Comparative	NNP
cord-351222-9bfchw4u	404	45	analysis	analysis	NN
cord-351222-9bfchw4u	404	46	of	of	IN
cord-351222-9bfchw4u	404	47	proteinbound	proteinbound	NN
cord-351222-9bfchw4u	404	48	ligand	ligand	NN
cord-351222-9bfchw4u	404	49	conformations	conformation	NNS
cord-351222-9bfchw4u	404	50	with	with	IN
cord-351222-9bfchw4u	404	51	respect	respect	NN
cord-351222-9bfchw4u	404	52	to	to	IN
cord-351222-9bfchw4u	404	53	catalyst	catalyst	NN
cord-351222-9bfchw4u	404	54	's	's	POS
cord-351222-9bfchw4u	404	55	conformational	conformational	JJ
cord-351222-9bfchw4u	404	56	space	space	NN
cord-351222-9bfchw4u	404	57	subsampling	subsampling	NN
cord-351222-9bfchw4u	404	58	algorithms	algorithm	NNS
cord-351222-9bfchw4u	404	59	PASS	pass	VBP
cord-351222-9bfchw4u	404	60	Biological	biological	JJ
cord-351222-9bfchw4u	404	61	activity	activity	NN
cord-351222-9bfchw4u	404	62	predictions	prediction	NNS
cord-351222-9bfchw4u	404	63	in	in	IN
cord-351222-9bfchw4u	404	64	the	the	DT
cord-351222-9bfchw4u	404	65	enhanced	enhanced	JJ
cord-351222-9bfchw4u	404	66	open	open	JJ
cord-351222-9bfchw4u	404	67	NCI	NCI	NNP
cord-351222-9bfchw4u	404	68	database	database	NN
cord-351222-9bfchw4u	404	69	browser	browser	NN
cord-351222-9bfchw4u	405	1	A	a	DT
cord-351222-9bfchw4u	405	2	traditional	traditional	JJ
cord-351222-9bfchw4u	405	3	Chinese	chinese	JJ
cord-351222-9bfchw4u	405	4	medicine	medicine	NN
cord-351222-9bfchw4u	405	5	plant	plant	NN
cord-351222-9bfchw4u	405	6	-	-	HYPH
cord-351222-9bfchw4u	405	7	compound	compound	NN
cord-351222-9bfchw4u	405	8	database	database	NN
cord-351222-9bfchw4u	405	9	aid	aid	VB
cord-351222-9bfchw4u	405	10	its	-PRON-	PRP$
cord-351222-9bfchw4u	405	11	application	application	NN
cord-351222-9bfchw4u	405	12	for	for	IN
cord-351222-9bfchw4u	405	13	searching	search	VBG
cord-351222-9bfchw4u	405	14	Natural	natural	JJ
cord-351222-9bfchw4u	405	15	products	product	NNS
cord-351222-9bfchw4u	405	16	:	:	:
cord-351222-9bfchw4u	405	17	sources	source	NNS
cord-351222-9bfchw4u	405	18	and	and	CC
cord-351222-9bfchw4u	405	19	databases	database	NNS
cord-351222-9bfchw4u	405	20	SuperNatural	SuperNatural	NNP
cord-351222-9bfchw4u	405	21	:	:	:
cord-351222-9bfchw4u	405	22	a	a	DT
cord-351222-9bfchw4u	405	23	searchable	searchable	JJ
cord-351222-9bfchw4u	405	24	database	database	NN
cord-351222-9bfchw4u	405	25	of	of	IN
cord-351222-9bfchw4u	405	26	available	available	JJ
cord-351222-9bfchw4u	405	27	natural	natural	JJ
cord-351222-9bfchw4u	405	28	compounds	compound	NNS
cord-351222-9bfchw4u	406	1	A	a	DT
cord-351222-9bfchw4u	406	2	marine	marine	JJ
cord-351222-9bfchw4u	406	3	natural	natural	JJ
cord-351222-9bfchw4u	406	4	product	product	NN
cord-351222-9bfchw4u	406	5	database	database	NN
cord-351222-9bfchw4u	406	6	Combining	combine	VBG
cord-351222-9bfchw4u	406	7	ethnopharmacology	ethnopharmacology	NN
cord-351222-9bfchw4u	406	8	and	and	CC
cord-351222-9bfchw4u	406	9	virtual	virtual	JJ
cord-351222-9bfchw4u	406	10	screening	screening	NN
cord-351222-9bfchw4u	406	11	for	for	IN
cord-351222-9bfchw4u	406	12	lead	lead	JJ
cord-351222-9bfchw4u	406	13	structure	structure	NN
cord-351222-9bfchw4u	406	14	discovery	discovery	NN
cord-351222-9bfchw4u	406	15	:	:	:
cord-351222-9bfchw4u	406	16	COX	COX	NNP
cord-351222-9bfchw4u	406	17	-	-	HYPH
cord-351222-9bfchw4u	406	18	inhibitors	inhibitor	NNS
cord-351222-9bfchw4u	406	19	as	as	IN
cord-351222-9bfchw4u	406	20	application	application	NN
cord-351222-9bfchw4u	406	21	example	example	NN
cord-351222-9bfchw4u	406	22	Computer	computer	NN
cord-351222-9bfchw4u	406	23	-	-	HYPH
cord-351222-9bfchw4u	406	24	aided	aid	VBN
cord-351222-9bfchw4u	406	25	molecular	molecular	JJ
cord-351222-9bfchw4u	406	26	selection	selection	NN
cord-351222-9bfchw4u	406	27	and	and	CC
cord-351222-9bfchw4u	406	28	design	design	NN
cord-351222-9bfchw4u	406	29	of	of	IN
cord-351222-9bfchw4u	406	30	natural	natural	JJ
cord-351222-9bfchw4u	406	31	bioactive	bioactive	JJ
cord-351222-9bfchw4u	406	32	molecules	molecule	NNS
cord-351222-9bfchw4u	406	33	Phytochemical	Phytochemical	NNP
cord-351222-9bfchw4u	406	34	databases	database	NNS
cord-351222-9bfchw4u	406	35	of	of	IN
cord-351222-9bfchw4u	406	36	Chinese	chinese	JJ
cord-351222-9bfchw4u	406	37	herbal	herbal	JJ
cord-351222-9bfchw4u	406	38	constituents	constituent	NNS
cord-351222-9bfchw4u	406	39	and	and	CC
cord-351222-9bfchw4u	406	40	bioactive	bioactive	JJ
cord-351222-9bfchw4u	406	41	plant	plant	NN
cord-351222-9bfchw4u	406	42	compounds	compound	NNS
cord-351222-9bfchw4u	406	43	with	with	IN
cord-351222-9bfchw4u	406	44	known	know	VBN
cord-351222-9bfchw4u	406	45	target	target	NN
cord-351222-9bfchw4u	406	46	specifities	specifitie	NNS
cord-351222-9bfchw4u	406	47	Strategies	strategy	NNS
cord-351222-9bfchw4u	406	48	for	for	IN
cord-351222-9bfchw4u	406	49	efficient	efficient	JJ
cord-351222-9bfchw4u	406	50	lead	lead	JJ
cord-351222-9bfchw4u	406	51	structure	structure	NN
cord-351222-9bfchw4u	406	52	discovery	discovery	NN
cord-351222-9bfchw4u	406	53	from	from	IN
cord-351222-9bfchw4u	406	54	natural	natural	JJ
cord-351222-9bfchw4u	406	55	products	product	NNS
cord-351222-9bfchw4u	406	56	Integrated	integrate	VBN
cord-351222-9bfchw4u	406	57	in	in	IN
cord-351222-9bfchw4u	406	58	silico	silico	NN
cord-351222-9bfchw4u	406	59	tools	tool	NNS
cord-351222-9bfchw4u	406	60	to	to	TO
cord-351222-9bfchw4u	406	61	exploit	exploit	VB
cord-351222-9bfchw4u	406	62	the	the	DT
cord-351222-9bfchw4u	406	63	natural	natural	JJ
cord-351222-9bfchw4u	406	64	products	product	NNS
cord-351222-9bfchw4u	406	65	'	'	POS
cord-351222-9bfchw4u	406	66	bioactivity	bioactivity	NN
cord-351222-9bfchw4u	406	67	ADMET	ADMET	NNP
cord-351222-9bfchw4u	406	68	in	in	IN
cord-351222-9bfchw4u	406	69	silico	silico	NN
cord-351222-9bfchw4u	406	70	modelling	modelling	NN
cord-351222-9bfchw4u	406	71	:	:	:
cord-351222-9bfchw4u	406	72	towards	towards	IN
cord-351222-9bfchw4u	406	73	prediction	prediction	NN
cord-351222-9bfchw4u	406	74	paradise	paradise	NNP
cord-351222-9bfchw4u	406	75	?	?	.
cord-351222-9bfchw4u	407	1	Discovering	discover	VBG
cord-351222-9bfchw4u	407	2	COX	COX	NNP
cord-351222-9bfchw4u	407	3	-	-	HYPH
cord-351222-9bfchw4u	407	4	inhibiting	inhibit	VBG
cord-351222-9bfchw4u	407	5	constituents	constituent	NNS
cord-351222-9bfchw4u	407	6	of	of	IN
cord-351222-9bfchw4u	407	7	Morus	Morus	NNP
cord-351222-9bfchw4u	407	8	root	root	NN
cord-351222-9bfchw4u	407	9	bark	bark	NN
cord-351222-9bfchw4u	407	10	:	:	:
cord-351222-9bfchw4u	408	1	Activity	activity	NN
cord-351222-9bfchw4u	408	2	-	-	HYPH
cord-351222-9bfchw4u	408	3	guided	guide	VBN
cord-351222-9bfchw4u	408	4	versus	versus	IN
cord-351222-9bfchw4u	408	5	computer	computer	NN
cord-351222-9bfchw4u	408	6	-	-	HYPH
cord-351222-9bfchw4u	408	7	aided	aid	VBN
cord-351222-9bfchw4u	408	8	methods	method	NNS
cord-351222-9bfchw4u	408	9	Ethnopharmacology	ethnopharmacology	NN
cord-351222-9bfchw4u	408	10	and	and	CC
cord-351222-9bfchw4u	408	11	bioinformatic	bioinformatic	JJ
cord-351222-9bfchw4u	408	12	combination	combination	NN
cord-351222-9bfchw4u	408	13	for	for	IN
cord-351222-9bfchw4u	408	14	leads	lead	VBZ
cord-351222-9bfchw4u	408	15	discovery	discovery	NN
cord-351222-9bfchw4u	408	16	:	:	:
cord-351222-9bfchw4u	408	17	application	application	NN
cord-351222-9bfchw4u	408	18	to	to	IN
cord-351222-9bfchw4u	408	19	phospholipase	phospholipase	NNP
cord-351222-9bfchw4u	408	20	A2	A2	NNP
cord-351222-9bfchw4u	408	21	inhibitors	inhibitor	NNS
cord-351222-9bfchw4u	409	1	Which	which	WDT
cord-351222-9bfchw4u	409	2	in	in	IN
cord-351222-9bfchw4u	409	3	vitro	vitro	FW
cord-351222-9bfchw4u	409	4	screens	screen	NNS
cord-351222-9bfchw4u	409	5	guide	guide	VBP
cord-351222-9bfchw4u	409	6	the	the	DT
cord-351222-9bfchw4u	409	7	prediction	prediction	NN
cord-351222-9bfchw4u	409	8	of	of	IN
cord-351222-9bfchw4u	409	9	oral	oral	JJ
cord-351222-9bfchw4u	409	10	absorption	absorption	NN
cord-351222-9bfchw4u	409	11	and	and	CC
cord-351222-9bfchw4u	409	12	volume	volume	NN
cord-351222-9bfchw4u	409	13	of	of	IN
cord-351222-9bfchw4u	409	14	distribution	distribution	NN
cord-351222-9bfchw4u	409	15	?	?	.
cord-351222-9bfchw4u	410	1	Application	application	NN
cord-351222-9bfchw4u	410	2	of	of	IN
cord-351222-9bfchw4u	410	3	the	the	DT
cord-351222-9bfchw4u	410	4	in	in	IN
cord-351222-9bfchw4u	410	5	combo	combo	NN
cord-351222-9bfchw4u	410	6	screening	screening	NN
cord-351222-9bfchw4u	410	7	approach	approach	NN
cord-351222-9bfchw4u	410	8	for	for	IN
cord-351222-9bfchw4u	410	9	the	the	DT
cord-351222-9bfchw4u	410	10	discovery	discovery	NN
cord-351222-9bfchw4u	410	11	of	of	IN
cord-351222-9bfchw4u	410	12	non	non	JJ
cord-351222-9bfchw4u	410	13	-	-	JJ
cord-351222-9bfchw4u	410	14	alkaloid	alkaloid	JJ
cord-351222-9bfchw4u	410	15	acetylcholinesterase	acetylcholinesterase	NN
cord-351222-9bfchw4u	410	16	inhibitors	inhibitor	NNS
cord-351222-9bfchw4u	410	17	from	from	IN
cord-351222-9bfchw4u	410	18	Cichorium	Cichorium	NNP
cord-351222-9bfchw4u	410	19	intybus	intybus	NNP
cord-351222-9bfchw4u	410	20	Virtual	virtual	JJ
cord-351222-9bfchw4u	410	21	screening	screening	NN
cord-351222-9bfchw4u	410	22	in	in	IN
cord-351222-9bfchw4u	410	23	drug	drug	NN
cord-351222-9bfchw4u	410	24	discovery	discovery	NN
cord-351222-9bfchw4u	410	25	:	:	:
cord-351222-9bfchw4u	410	26	methods	method	NNS
cord-351222-9bfchw4u	410	27	,	,	,
cord-351222-9bfchw4u	410	28	expectations	expectation	NNS
cord-351222-9bfchw4u	410	29	and	and	CC
cord-351222-9bfchw4u	410	30	reality	reality	NN
cord-351222-9bfchw4u	410	31	Integration	integration	NN
cord-351222-9bfchw4u	410	32	of	of	IN
cord-351222-9bfchw4u	410	33	virtual	virtual	JJ
cord-351222-9bfchw4u	410	34	and	and	CC
cord-351222-9bfchw4u	410	35	high	high	JJ
cord-351222-9bfchw4u	410	36	-	-	HYPH
cord-351222-9bfchw4u	410	37	throughput	throughput	NN
cord-351222-9bfchw4u	410	38	screening	screening	NN
cord-351222-9bfchw4u	410	39	Quercetin	Quercetin	NNS
cord-351222-9bfchw4u	410	40	as	as	IN
cord-351222-9bfchw4u	410	41	the	the	DT
cord-351222-9bfchw4u	410	42	active	active	JJ
cord-351222-9bfchw4u	410	43	principle	principle	NN
cord-351222-9bfchw4u	410	44	of	of	IN
cord-351222-9bfchw4u	410	45	Hypericum	Hypericum	NNP
cord-351222-9bfchw4u	410	46	hircinum	hircinum	NNP
cord-351222-9bfchw4u	410	47	exerts	exert	VBZ
cord-351222-9bfchw4u	410	48	a	a	DT
cord-351222-9bfchw4u	410	49	selective	selective	JJ
cord-351222-9bfchw4u	410	50	inhibitory	inhibitory	JJ
cord-351222-9bfchw4u	410	51	activity	activity	NN
cord-351222-9bfchw4u	410	52	against	against	IN
cord-351222-9bfchw4u	410	53	MAO	MAO	NNP
cord-351222-9bfchw4u	410	54	-	-	HYPH
cord-351222-9bfchw4u	410	55	A	A	NNP
cord-351222-9bfchw4u	410	56	:	:	:
cord-351222-9bfchw4u	410	57	extraction	extraction	NN
cord-351222-9bfchw4u	410	58	,	,	,
cord-351222-9bfchw4u	410	59	biological	biological	JJ
cord-351222-9bfchw4u	410	60	analysis	analysis	NN
cord-351222-9bfchw4u	410	61	,	,	,
cord-351222-9bfchw4u	410	62	and	and	CC
cord-351222-9bfchw4u	410	63	computational	computational	JJ
cord-351222-9bfchw4u	410	64	study	study	NN
cord-351222-9bfchw4u	411	1	Taspine	Taspine	NNP
cord-351222-9bfchw4u	411	2	:	:	:
cord-351222-9bfchw4u	411	3	Bioactivity	Bioactivity	NNP
cord-351222-9bfchw4u	411	4	-	-	HYPH
cord-351222-9bfchw4u	411	5	guided	guide	VBN
cord-351222-9bfchw4u	411	6	isolation	isolation	NN
cord-351222-9bfchw4u	411	7	and	and	CC
cord-351222-9bfchw4u	411	8	molecular	molecular	JJ
cord-351222-9bfchw4u	411	9	ligand	ligand	NN
cord-351222-9bfchw4u	411	10	-	-	HYPH
cord-351222-9bfchw4u	411	11	target	target	NN
cord-351222-9bfchw4u	411	12	insight	insight	NN
cord-351222-9bfchw4u	411	13	of	of	IN
cord-351222-9bfchw4u	411	14	a	a	DT
cord-351222-9bfchw4u	411	15	potent	potent	JJ
cord-351222-9bfchw4u	411	16	acetylcholinesterase	acetylcholinesterase	NN
cord-351222-9bfchw4u	411	17	inhibitor	inhibitor	NN
cord-351222-9bfchw4u	411	18	from	from	IN
cord-351222-9bfchw4u	411	19	Magnolia	Magnolia	NNP
cord-351222-9bfchw4u	412	1	x	x	LS
cord-351222-9bfchw4u	412	2	soulangiana	soulangiana	NNP
cord-351222-9bfchw4u	413	1	In	in	IN
cord-351222-9bfchw4u	413	2	silico	silico	NN
cord-351222-9bfchw4u	413	3	screening	screening	NN
cord-351222-9bfchw4u	413	4	of	of	IN
cord-351222-9bfchw4u	413	5	the	the	DT
cord-351222-9bfchw4u	413	6	protein	protein	NN
cord-351222-9bfchw4u	413	7	structure	structure	NN
cord-351222-9bfchw4u	413	8	repertoire	repertoire	NN
cord-351222-9bfchw4u	413	9	and	and	CC
cord-351222-9bfchw4u	413	10	of	of	IN
cord-351222-9bfchw4u	413	11	protein	protein	NN
cord-351222-9bfchw4u	413	12	families	family	NNS
cord-351222-9bfchw4u	413	13	Recovering	recover	VBG
cord-351222-9bfchw4u	413	14	the	the	DT
cord-351222-9bfchw4u	413	15	true	true	JJ
cord-351222-9bfchw4u	413	16	targets	target	NNS
cord-351222-9bfchw4u	413	17	of	of	IN
cord-351222-9bfchw4u	413	18	specific	specific	JJ
cord-351222-9bfchw4u	413	19	ligands	ligand	NNS
cord-351222-9bfchw4u	413	20	by	by	IN
cord-351222-9bfchw4u	413	21	virtual	virtual	JJ
cord-351222-9bfchw4u	413	22	screening	screening	NN
cord-351222-9bfchw4u	413	23	of	of	IN
cord-351222-9bfchw4u	413	24	the	the	DT
cord-351222-9bfchw4u	413	25	Protein	Protein	NNP
cord-351222-9bfchw4u	413	26	Data	Data	NNP
cord-351222-9bfchw4u	413	27	Bank	Bank	NNP
cord-351222-9bfchw4u	413	28	Bridging	Bridging	NNP
cord-351222-9bfchw4u	413	29	chemical	chemical	NN
cord-351222-9bfchw4u	413	30	and	and	CC
cord-351222-9bfchw4u	413	31	biological	biological	JJ
cord-351222-9bfchw4u	413	32	space	space	NN
cord-351222-9bfchw4u	413	33	:	:	:
cord-351222-9bfchw4u	414	1	"	"	``
cord-351222-9bfchw4u	414	2	target	target	NN
cord-351222-9bfchw4u	414	3	fishing	fishing	NN
cord-351222-9bfchw4u	414	4	"	"	''
cord-351222-9bfchw4u	414	5	using	use	VBG
cord-351222-9bfchw4u	414	6	2D	2D	NNP
cord-351222-9bfchw4u	414	7	and	and	CC
cord-351222-9bfchw4u	414	8	3D	3D	NNP
cord-351222-9bfchw4u	414	9	molecular	molecular	JJ
cord-351222-9bfchw4u	414	10	descriptors	descriptor	NNS