期刊
DRUG DISCOVERY TODAY
卷 18, 期 13-14, 页码 674-680出版社
ELSEVIER SCI LTD
DOI: 10.1016/j.drudis.2013.02.005
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资金
- NIBR education office
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 similar to of a HTS collection, we expect to discover similar to 50-80% of all desired bioactive compounds.
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