Combination of a naive Bayes classifier with consensus scoring improves enrichment of high-throughput docking results

被引:62
作者
Klon, AE [1 ]
Glick, M [1 ]
Davies, JW [1 ]
机构
[1] Novartis Inst Biomed Res, Cambridge, MA 02139 USA
关键词
D O I
10.1021/jm049970d
中图分类号
R914 [药物化学];
学科分类号
100701 ;
摘要
We have previously shown that a machine learning technique can improve the enrichment of high-throughput docking (HTD) results. In the previous cases studied, however, the application of a naive Bayes classifier failed to improve enrichment for instances where HTD alone was unable to generate an acceptable enrichment. We present here a protocol to rescue poor docking results a priori using a combination of rank-by-median consensus scoring and naive Bayesian categorization.
引用
收藏
页码:4356 / 4359
页数:4
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