"Predicting octanol/water partition coefficients for the SAMPL6 challenge ..."

Jonathan A. Ouimet, Andrew S. Paluch (2020)

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DOI: 10.1007/S10822-020-00293-2

access: closed

type: Journal Article

metadata version: 2020-05-30

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Jonathan A. Ouimet, Andrew S. Paluch:
Predicting octanol/water partition coefficients for the SAMPL6 challenge using the SM12, SM8, and SMD solvation models. J. Comput. Aided Mol. Des. 34(5): 575-588 (2020)

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