Mapping adverse drug reactions in chemical space

J Med Chem. 2009 May 14;52(9):3103-7. doi: 10.1021/jm801546k.

Abstract

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.

MeSH terms

  • Adolescent
  • Child
  • Databases, Factual
  • Drug-Related Side Effects and Adverse Reactions*
  • Humans
  • Pharmaceutical Preparations / chemistry*

Substances

  • Pharmaceutical Preparations