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Calculation of the Solvation Free Energy of Neutral and Ionic Molecules in Diverse Solvents.

Se-Han LeeKwang-Hwi ChoChang-Joon LeeGo-Eun KimChul Hee NaYoungyong InKyoung Tai No
Published in: J. Chem. Inf. Model. (2011)
Keyphrases
  • free energy
  • belief propagation
  • upper bound
  • fixed point
  • competitive learning
  • posterior distribution
  • neural network
  • graphical models
  • approximate inference
  • computer vision
  • semi supervised