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Quantifying biogenic bias in screening libraries.

  • Author(s): Hert, Jérôme;
  • Irwin, John J;
  • Laggner, Christian;
  • Keiser, Michael J;
  • Shoichet, Brian K
  • et al.
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.

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