Conditional probability: A new fusion method for merging disparate virtual screening results

被引：21

作者：

Raymond, JW ^{[1
]}

Jalaie, M ^{[1
]}

Bradley, MP ^{[1
]}

机构：

[1] Pfizer Global Res & Dev, Discovery Technol, Ann Arbor Labs, Ann Arbor, MI 48105 USA

来源：

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 2004年 / 44卷 / 02期

关键词：

D O I：

10.1021/ci034234o

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

This paper introduces a new consensus scoring approach for merging the results of different virtual screening methods based on conditional probabilities. The technique is experimentally evaluated using several ligand-based virtual screening methods and compared to two variations of the established Sum-rank fusion method where it performs as well or better than the Sum-rank methods. Our experiments confirm that consensus scoring increases the number of active compounds retrieved with respect to the best individual methods on average.

引用

页码：601 / 609

页数：9

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