"Prediction of the n-octanol/water partition coefficients in the SAMPL6 ..."

William J. Zamora et al. (2020)

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DOI: 10.1007/S10822-019-00262-4

access: closed

type: Journal Article

metadata version: 2022-04-25

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William J. Zamora, Silvana Pinheiro, Kilian German, Clara Pérez-Ràfols, Carles Curutchet, F. Javier Luque:
Prediction of the n-octanol/water partition coefficients in the SAMPL6 blind challenge from MST continuum solvation calculations. J. Comput. Aided Mol. Des. 34(4): 443-451 (2020)

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