Predicting hydration free energies of polychlorinated aromatic compounds from the SAMPL-3 data set with FiSH and LIE models

Traian Sulea, Enrico O. Purisima. Predicting hydration free energies of polychlorinated aromatic compounds from the SAMPL-3 data set with FiSH and LIE models. Journal of Computer-Aided Molecular Design, 26(5):661-667, 2012. [doi]

Authors

Traian Sulea

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Enrico O. Purisima

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