Quantifying biogenic bias in screening libraries

Nat Chem Biol. 2009 Jul;5(7):479-83. doi: 10.1038/nchembio.180. Epub 2009 May 31.

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.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Biological Products / chemistry*
  • Databases, Factual*
  • Drug Discovery* / statistics & numerical data
  • Molecular Structure
  • Proteins / chemistry*
  • Selection Bias
  • Small Molecule Libraries / chemistry*
  • Structure-Activity Relationship

Substances

  • Biological Products
  • Proteins
  • Small Molecule Libraries

Associated data

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