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Performance of the SMD and SM8 models for predicting solvation free energy of neutral solutes in methanol, dimethyl sulfoxide and acetonitrile.
Caroline C. Zanith
Josefredo R. Pliego Jr.
Published in:
J. Comput. Aided Mol. Des. (2015)
Keyphrases
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free energy
three dimensional
probabilistic model
parameter estimation
competitive learning