Quantifying biogenic bias in screening libraries.
- Author(s): Hert, Jérôme
- Irwin, John J
- Laggner, Christian
- Keiser, Michael J
- Shoichet, Brian K
- et al.
Published Web Locationhttps://doi.org/10.1038/nchembio.180
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.