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A consistent description of HYdrogen bond and DEhydration energies in protein-ligand complexes: methods behind the HYDE scoring function.

Nadine SchneiderGudrun LangeSally A. HindleRobert KleinMatthias Rarey
Published in: J. Comput. Aided Mol. Des. (2013)
Keyphrases
  • scoring function
  • machine learning
  • reinforcement learning
  • information retrieval
  • pairwise
  • machine learning algorithms
  • drug discovery