Evaluation of distance metrics for ligand-based similarity searching

被引：18

作者：

Fechner, U ^{[1
]}

Schneider, G ^{[1
]}

机构：

[1] Univ Frankfurt, Inst Organ Chem & Chem Biol, D-60439 Frankfurt, Germany

来源：

CHEMBIOCHEM | 2004年 / 5卷 / 04期

关键词：

computer chemistry; drug design; libraries; pharmacophore; virtual screening;

D O I：

10.1002/cbic.200300812

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

A new way to the library. Chemical similarity searching methods can be combined to yield focused compound libraries that contain a significant proportion of active molecules. A straightforward procedure is described that is grounded on the unification of sets of top-ranking compounds retrieved by different similarity metrics (see figure).

引用

页码：538 / 540

页数：3

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