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AIScore Chemically Diverse Empirical Scoring Function Employing Quantum Chemical Binding Energies of Hydrogen-Bonded Complexes.

Stephan RaubAndreas SteffenAndreas KämperChristel M. Marian
Published in: J. Chem. Inf. Model. (2008)
Keyphrases
  • scoring function
  • virtual screening
  • scoring functions
  • structure learning
  • ranking functions
  • machine learning
  • graph cuts
  • energy function
  • probability distribution
  • higher order
  • document retrieval
  • drug discovery