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"TorsionNet: A Deep Neural Network to Rapidly Predict Small-Molecule ..."

Brajesh K. Rai et al. (2022)

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DOI: 10.1021/ACS.JCIM.1C01346

access: closed

type: Journal Article

metadata version: 2022-04-01

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  - journals/jcisd/RaiSYUTMB22
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  - https://dblp.org/rec/journals/jcisd/RaiSYUTMB22
Brajesh K. Rai, Vishnu Sresht, Qingyi Yang, Ray Unwalla, Meihua Tu, Alan M. Mathiowetz, Gregory A. Bakken:
TorsionNet: A Deep Neural Network to Rapidly Predict Small-Molecule Torsional Energy Profiles with the Accuracy of Quantum Mechanics. J. Chem. Inf. Model. 62(4): 785-800 (2022)

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