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Blind prediction of host-guest binding affinities: a new SAMPL3 challenge.

Hari S. MuddanaC. Daniel VarnadoChristopher W. BielawskiAdam R. UrbachLyle IsaacsMatthew T. GeballeMichael K. Gilson
Published in: J. Comput. Aided Mol. Des. (2012)
Keyphrases
  • prediction accuracy
  • prediction error
  • prediction model
  • pairwise
  • neural network
  • predictive model
  • prediction algorithm