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Blinded predictions of host-guest standard free energies of binding in the SAMPL5 challenge.

Stefano BosisioAntonia S. J. S. MeyJulien Michel
Published in: J. Comput. Aided Mol. Des. (2017)
Keyphrases
  • higher order
  • markov random field
  • virtual machine
  • artificial intelligence
  • feature selection
  • e learning
  • decision trees
  • energy minimization