WhichCyp: prediction of cytochromes P450 inhibition

被引：64

作者：

Rostkowski, Michal ^{[1
]}

Spjuth, Ola ^{[2
]}

Rydberg, Patrik ^{[1
]}

机构：

[1] Univ Copenhagen, Dept Drug Design & Pharmacol, DK-2100 Copenhagen, Denmark

[2] Uppsala Univ, Dept Pharmaceut Biosci, SE-75124 Uppsala, Sweden

来源：

BIOINFORMATICS | 2013年 / 29卷 / 16期

关键词：

SOURCE JAVA LIBRARY; DEVELOPMENT KIT CDK; METABOLISM; BIOCLIPSE; SUPPORT; SITES;

D O I：

10.1093/bioinformatics/btt325

中图分类号：

Q5 [生物化学];

学科分类号：

070307 [化学生物学];

摘要：

In this work we present WhichCyp, a tool for prediction of which cytochromes P450 isoforms (among 1A2, 2C9, 2C19, 2D6 and 3A4) a given molecule is likely to inhibit. The models are built from experimental high-throughput data using support vector machines and molecular signatures.

引用

页码：2051 / 2052

页数：2

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