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Stacking Gaussian processes to improve $$pK_a$$ predictions in the SAMPL7 challenge

Published Online: 2021-08-07

Published Print: 2021-09

Authors

Raddi, Robert M.

Voelz, Vincent A. http://orcid.org/0000-0002-1054-2124
Funding

Funding for this research was provided by:

National Institute of General Medical Sciences (R01GM123296, R01GM124270)
License Information

Text and Data Mining valid from 2021-08-07

Version of Record valid from 2021-08-07
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Article History

Received: 12 April 2021

Accepted: 5 July 2021

First Online: 7 August 2021

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