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• W2046398049 abstract "How is the 'diversity' of a compound set defined and how is the most appropriate compound subset identified for assay when screening the entire HTS deck is not an option? A common approach has so far been to cover as much of the chemical space as possible by screening a chemically diverse set of compounds. We show that, rather than chemical diversity, the biologic diversity of a compound library is an essential requirement for hit identification. We describe a simple and efficient approach for the design of a HTS library based on compound-target diversity. Biodiverse compound subsets outperform chemically diverse libraries regarding hit rate and the total number of unique chemical scaffolds present among hits. Specifically, by screening ~19% of a HTS collection, we expect to discover ~50-80% of all desired bioactive compounds." @default.
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• W2046398049 date "2013-07-01" @default.
• W2046398049 modified "2023-09-25" @default.
• W2046398049 title "Biodiversity of small molecules – a new perspective in screening set selection" @default.
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• W2046398049 doi "https://doi.org/10.1016/j.drudis.2013.02.005" @default.
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