Novel statistical approach for primary high-throughput screening hit selection.
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Yan, Frank, Asatryan, Hayk, Li, Jing and Zhou, Yingyao (2005) Novel statistical approach for primary high-throughput screening hit selection. Journal of Chemical Information and Modeling, 45 (6). pp. 1784-1790. ISSN 1549-9596
Abstract
The standard activity threshold-based method (the "top X" approach), currently widely used in the high-throughput screening (HTS) data analysis, is ineffective at identifying good-quality hits. We have proposed a novel knowledge-based statistical approach, driven by the hidden structure-activity relationship (SAR) within a screening library, for primary hit selection. Application to an in-house ultrahigh-throughput screening (uHTS) campaign has demonstrated it can directly identify active scaffolds containing valuable SAR information with a greatly improved confirmation rate compared to the standard "top X" method (from 55% to 85%). This approach may help produce high-quality leads and expedite the hit-to-lead process in drug discovery.
| Item Type: | Article |
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| Date Deposited: | 14 Dec 2009 14:02 |
| Last Modified: | 31 Jan 2013 01:23 |
| URI: | https://oak.novartis.com/id/eprint/236 |