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2020•Journal of Computer-Aided Molecular DesignRequires access

Predicting octanol/water partition coefficients for the SAMPL6 challenge using the SM12, SM8, and SMD solvation models

Jonathan A. Ouimet, Andrew S. Paluch

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Key concepts: Solvation, Partition coefficient, Octanol, Partition (number theory), Chemistry, Thermodynamics, Context (archaeology), Solvent

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Predicting octanol/water partition coefficients for the SAMPL6 challenge using the SM12, SM8, and SMD solvation models — Research Paper | ScholarLens