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On sampling of fragment space.

Abstract：

:Fragment-based lead discovery has over the years matured into an attractive alternative to high-throughput screening (HTS) for lead generation. Several techniques for screening libraries of typically 10(3)-10(4) fragments have been reported. In this work, the practical success rates that can be expected from the screening of fragment-like libraries was investigated via interrogating medicinal chemistry databases for several programs with virtual libraries created from commercially available reagents or with libraries of commercially available fragments. The results suggest that hits more potent than typically discovered in today's fragment-based screens can consistently be identified from realistically accessible compound sets under screening conditions similar to commonly used HTS protocols.

journal_name

J Med Chem

journal_title

Journal of medicinal chemistry

authors

Makara GM

doi

10.1021/jm0700316

subject

Has Abstract

pub_date

2007-07-12 00:00:00

pages

3214-21

issue

14

eissn

0022-2623

issn

1520-4804

journal_volume

50

pub_type

杂志文章

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