期刊
JOURNAL OF CHEMICAL INFORMATION AND MODELING
卷 45, 期 6, 页码 1784-1790出版社
AMER CHEMICAL SOC
DOI: 10.1021/ci0502808
关键词
-
The standard activity threshold-based method (the top V 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 call 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.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据