"Predicting octanol/water partition coefficients and pKa for the SAMPL7 ..."

Sergio A. Rodriguez et al. (2022)

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DOI: 10.1007/S10822-022-00474-1

access: closed

type: Journal Article

metadata version: 2023-11-12

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Sergio A. Rodriguez, Jasmine Vy Tran, Spencer J. Sabatino, Andrew S. Paluch:
Predicting octanol/water partition coefficients and pKa for the SAMPL7 challenge using the SM12, SM8 and SMD solvation models. J. Comput. Aided Mol. Des. 36(9): 687-705 (2022)

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