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Multisolvent Models for Solvation Free Energy Predictions Using 3D-RISM Hydration Thermodynamic Descriptors.

Vigneshwari SubramanianEkaterina RatkovaDavid PalmerOla EngkvistMaxim V. FedorovAntonio Llinas
Published in: J. Chem. Inf. Model. (2020)
Keyphrases
  • free energy
  • belief propagation
  • computer vision
  • bayesian framework
  • competitive learning
  • machine learning
  • image retrieval
  • probabilistic model
  • upper bound
  • higher order
  • posterior distribution