id	author	title	date	pages	extension	mime	words	sentences	flesch	summary	cache	txt
cord-291180-xurmzmwj	Lin, Xiaoqian	A Review on Applications of Computational Methods in Drug Screening and Design	2020-03-18		.txt	text/plain	7735	419	41	Then, virtual screening methods (e.g., molecular docking, pharmacophore modeling, and QSAR) as well as structureand ligand-based classical/de novo drug design were introduced and discussed. On the other hand, ligand-based drug design can also use quantitative structure-activity relationships (QSAR) [50, 51] in which a correlation between calculated properties of molecules and their experimentally determined biological activity is derived, to predict the activity of new analogs. With the assembly of reasonable molecular fragments, the objective of drug design method is to produce a certain novel molecule that display highest biological activity, absorption, metabolism, elimination (ADME) and lowest toxicity properties at different environments, which belong to the application range of QSAR models. With the booming era of "big" data, machine learning methods have developed into deep learning approaches, which are a more efficient way for drug designers to deal with important biological properties from large amount of compound databases.	./cache/cord-291180-xurmzmwj.txt	./txt/cord-291180-xurmzmwj.txt