ANI neural network potentials for small molecule pKa prediction

Ross James Urquhart, Alexander van Teijlingen, Tell Tuttle^*

^*Corresponding author for this work

Pure And Applied Chemistry

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Data for: "ANI neural network potentials for small molecule pKa prediction"
Urquhart, R. (Creator), van Teijlingen, A. (Creator) & Tuttle, T. (Supervisor), University of Strathclyde, 2 Sept 2024
DOI: 10.15129/8e3a4b33-c787-43d6-afbb-0c1a9a975af8
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