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Evaluation of machine-learning methods for ligand-based virtual screening.

Beining ChenRobert F. HarrisonGeorge PapadatosPeter WillettDavid J. WoodXiao Qing LewellPaulette A. GreenidgeNikolaus Stiefl
Published in: J. Comput. Aided Mol. Des. (2007)
Keyphrases
  • virtual screening
  • drug discovery
  • chemical structures
  • similarity searching
  • high throughput
  • binding sites
  • databases
  • multimedia
  • data structure
  • data analysis
  • scoring function