Chemical space navigation in lead discovery.

Abstract:

:The number of new chemical entities has remained rather constant (averaging 37 per year) in the past decade, despite the multiple-fold increase in the number of compounds that are being made and tested. Chemical space requires novel methods that can handle the increasing number of potentially accessible molecules. Neighborhood behavior, as an approach to similarity, and chemical property space navigation are some of the recent advances that are discussed, in the context of lead discovery and appropriate pharmacokinetic properties.

journal_name

Curr Opin Chem Biol

authors

Oprea TI

doi

10.1016/s1367-5931(02)00329-0

subject

Has Abstract

pub_date

2002-06-01 00:00:00

pages

384-9

issue

3

eissn

1367-5931

issn

1879-0402

pii

S1367593102003290

journal_volume

6

pub_type

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