The use of the R language for medicinal chemistry applications

Curr Top Med Chem. 2012;12(18):1957-64. doi: 10.2174/156802612804910322.

Abstract

This manuscript serves as a review of how the R language has been used in the last decade to address problems related to medicinal chemistry design. This includes the use of the R language for chemoinformatics applications and interfaces, as well as statistical modeling for ADMET and potency endpoints. Additionally, a few examples of R code are provided to demonstrate the ability of this language to make available cutting-edge statistical analysis to the medicinal chemistry design community.

Publication types

  • Review

MeSH terms

  • Absorption
  • Chemistry, Pharmaceutical / methods*
  • Databases, Chemical
  • Models, Statistical
  • Programming Languages*
  • Software
  • Toxicity Tests