In lead discovery, libraries of 106 molecules are screened for biological activity. Given the over 1060 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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This work was supported by US National Institutes of Health grant GM59957 to B.K.S. J.H. was supported by a Marie Curie fellowship from the 6th Framework Program of the European Commission; M.J.K. was supported by a US National Science Foundation graduate fellowship; C.L. was supported by a fellowship from the Max Kade Foundation.
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Hert, J., Irwin, J., Laggner, C. et al. Quantifying biogenic bias in screening libraries. Nat Chem Biol 5, 479–483 (2009). https://doi.org/10.1038/nchembio.180
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