SAMPL6 challenge results from $$pK_a$$pKa predictions based...

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Journal of Computer-Aided Molecular Design 2018 / 10

SAMPL6 challenge results from $$pK_a$$pKa predictions based on a general Gaussian process model

Bannan, Caitlin C., Mobley, David L., Skillman, A. Geoffrey
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Language:
english
Journal:
Journal of Computer-Aided Molecular Design
DOI:
10.1007/s10822-018-0169-z
Date:
October, 2018
File:
PDF, 1.89 MB
english, 2018
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