Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Epik: pKa and Protonation State Prediction through Machine Learning
, Authors:
Ryne C. Johnston, Kun Yao, Zachary Kaplan, Monica Chelliah, Karl Leswing, Sean Seekins, Shawn Watts, David Calkins, Jackson Chief Elk, Steven V. Jerome, Matthew P. Repasky, John C. Shelley
Version 3 posted 27 March 2023
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