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A Weighted Averaging Scheme and a Local Atomic Descriptor for pKa Prediction Based on Density Functional Theory
Yu, Haoyu S,, Watson, Mark A., Bochevarov, Art D.Langue:
english
Journal:
Journal of Chemical Information and Modeling
DOI:
10.1021/acs.jcim.7b00537
Date:
January, 2018
Fichier:
PDF, 855 KB
english, 2018