"Stacking Gaussian processes to improve pKa predictions in the ..."

Robert M. Raddi, Vincent A. Voelz (2021)

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DOI: 10.1007/S10822-021-00411-8

access: closed

type: Journal Article

metadata version: 2021-10-14

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Robert M. Raddi, Vincent A. Voelz:
Stacking Gaussian processes to improve pK_a predictions in the SAMPL7 challenge. J. Comput. Aided Mol. Des. 35(9): 953-961 (2021)

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