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. Journal of Chemical Information and Computer Sciences, 62(4):785-800, 2022. [doi]
@article{RaiSYUTMB22,
title = {TorsionNet: A Deep Neural Network to Rapidly Predict Small-Molecule Torsional Energy Profiles with the Accuracy of Quantum Mechanics},
author = {Brajesh K. Rai and Vishnu Sresht and Qingyi Yang and Ray Unwalla and Meihua Tu and Alan M. Mathiowetz and Gregory A. Bakken},
year = {2022},
doi = {10.1021/acs.jcim.1c01346},
url = {https://doi.org/10.1021/acs.jcim.1c01346},
researchr = {https://researchr.org/publication/RaiSYUTMB22},
cites = {0},
citedby = {0},
journal = {Journal of Chemical Information and Computer Sciences},
volume = {62},
number = {4},
pages = {785-800},
}