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Learning from Docked Ligands: Ligand-Based Features Rescue Structure-Based Scoring Functions When Trained on Docked Poses.

Fergus BoylesCharlotte M. DeaneGarrett M. Morris
Published in: J. Chem. Inf. Model. (2022)
Keyphrases
  • learning process
  • feature vectors
  • active learning
  • feature extraction
  • prior knowledge
  • classification accuracy
  • scoring functions
  • supervised learning
  • search engine
  • training set
  • graphical models
  • svm classifier