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Lead Finder docking and virtual screening evaluation with Astex and DUD test sets.

Fedor N. NovikovViktor S. StroylovAlexey A. ZeifmanOleg V. StroganovVal KulkovGhermes G. Chilov
Published in: J. Comput. Aided Mol. Des. (2012)
Keyphrases
  • test set
  • virtual screening
  • error rate
  • training data
  • training set
  • test cases
  • chemical structures
  • drug discovery
  • data sets
  • feature extraction
  • active learning
  • supervised learning
  • similarity searching