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

Research output: Contribution to journal › Article › peer-review

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Finished
E Infrastructure Bid - Capital Equipment Bid
Littlejohn, D. (Principal Investigator), Fedorov, M. (Co-investigator), Mulheran, P. (Co-investigator) & Reese, J. (Co-investigator)
EPSRC (Engineering and Physical Sciences Research Council)
20/01/12 → 31/03/12
Project: Research