Mapping Adverse Drug Reactions in Chemical Space

被引：128

作者：

Scheiber, Josef ^{[1
]}

Jenkins, Jeremy L. ^{[1
]}

Sukuru, Sai Chetan K. ^{[1
]}

Bender, Andreas ^{[1
]}

Mikhailov, Dmitri ^{[1
]}

Milik, Mariusz ^{[1
]}

Azzaoui, Kamal ^{[3
]}

Whitebread, Steven ^{[1
]}

Hamon, Jacques ^{[2
]}

Urban, Laszlo ^{[1
]}

Glick, Meir ^{[1
]}

Davies, John W. ^{[1
]}

机构：

[1] Novartis Inst Biomed Res, CPC, Cambridge, MA 02139 USA

[2] Novartis Pharma AG, CPC, Preclin Safety Profiling, CH-4002 Basel, Switzerland

[3] Novartis Pharma AG, CPC, Mol Lib Informat, CH-4002 Basel, Switzerland

来源：

JOURNAL OF MEDICINAL CHEMISTRY | 2009年 / 52卷 / 09期

关键词：

MOLECULAR DESCRIPTORS; HOSPITALIZED-PATIENTS; INTERACTION NETWORKS; PHARMACOLOGY; CHEMISTRY; MORTALITY; EVENTS;

D O I：

10.1021/jm801546k

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

We present a novel method to better investigate adverse drug reactions in chemical space. By integrating data sources about adverse drug reactions of drugs with an established cheminformatics modeling method, we generate a data set that is then visualized with a systems biology tool. Thereby new insights into undesired drug effects are gained. In this work. we present a global analysis linking chemical features to adverse drug reactions.

引用

页码：3103 / 3107

页数：5

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