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Training a Scoring Function for the Alignment of Small Molecules.

Shek Ling ChanPaul Labute
Published in: J. Chem. Inf. Model. (2010)
Keyphrases
  • scoring function
  • multiple alignment
  • virtual screening
  • structure learning
  • scoring functions
  • training set
  • ranking functions
  • data sets
  • information retrieval
  • reinforcement learning
  • generative model
  • binding sites