id	author	title	date	pages	extension	mime	words	sentences	flesch	summary	cache	txt
cord-296560-ehrww6uu	Bender, Andreas	Chapter 9 Molecular Similarity: Advances in Methods, Applications and Validations in Virtual Screening and QSAR	2006-11-07		.txt	text/plain	10156	417	40	This chapter discusses recent developments in some of the areas that exploit the molecular similarity principle, novel approaches to capture molecular properties by the use of novel descriptors, focuses on a crucial aspect of computational models—their validity, and discusses additional ways to examine data available, such as those from high-throughput screening (HTS) campaigns and to gain more knowledge from this data. The chapter also presents some of the recent applications of methods discussed focusing on the successes of virtual screening applications, database clustering and comparisons (such as drugand in-house-likeness), and the recent large-scale validations of docking and scoring programs. (Note that this has at the same time been shown empirically in virtual screening experiments [42, 43] .) Some of the methods, namely mutual information and genetic programing, have also been evaluated separately for their use in QSAR studies [44] with respect to a dataset which showed some (typical) problems present in the area, such as a very different sizes of 'active' vs.	./cache/cord-296560-ehrww6uu.txt	./txt/cord-296560-ehrww6uu.txt