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Quantifying biogenic bias in screening libraries.


ABSTRACT: In lead discovery, libraries of 10(6) molecules are screened for biological activity. Given the over 10(60) drug-like molecules thought possible, such screens might never succeed. The fact that they do, even occasionally, implies a biased selection of library molecules. We have developed a method to quantify the bias in screening libraries toward biogenic molecules. With this approach, we consider what is missing from screening libraries and how they can be optimized.

SUBMITTER: Hert J 

PROVIDER: S-EPMC2783405 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

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Quantifying biogenic bias in screening libraries.

Hert Jérôme J   Irwin John J JJ   Laggner Christian C   Keiser Michael J MJ   Shoichet Brian K BK  

Nature chemical biology 20090531 7


In lead discovery, libraries of 10(6) molecules are screened for biological activity. Given the over 10(60) drug-like molecules thought possible, such screens might never succeed. The fact that they do, even occasionally, implies a biased selection of library molecules. We have developed a method to quantify the bias in screening libraries toward biogenic molecules. With this approach, we consider what is missing from screening libraries and how they can be optimized. ...[more]

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