Decision tree methods in pharmaceutical research

Curr Top Med Chem. 2006;6(1):31-9. doi: 10.2174/156802606775193301.


Decision trees are among the most popular of the new statistical learning methods being used in the pharmaceutical industry for predicting quantitative structure-activity relationships. This article reviews applications of decision trees in drug discovery research and extensions to the basic algorithm using hybrid or ensemble methods that improve prediction accuracy.

Publication types

  • Review

MeSH terms

  • Chemistry, Pharmaceutical / methods*
  • Decision Trees*
  • Drug Design*
  • Humans
  • Quantitative Structure-Activity Relationship