ANI/EFP: Modeling Long-Range Interactions in ANI Neural Network with Effective Fragment Potentials
Shahed Haghiri, Claudia Viquez Rojas, Sriram Bhat, Olexandr Isayev, Lyudmila Slipchenko
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ANI/EFP: Modeling Long-Range Interactions in ANI Neural Network with Effective Fragment Potentials.
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@article{Haghiri2024,
author = {Haghiri, Shahed and Viquez Rojas, Claudia and Bhat, Sriram and Isayev, Olexandr and Slipchenko, Lyudmila},
title = {ANI/EFP: Modeling Long-Range Interactions in ANI Neural Network with Effective Fragment Potentials},
year = {2024},
journal = {Journal of Chemical Theory and Computation},
volume = {20},
number = {20},
pages = {9138--9147},
doi = {10.1021/acs.jctc.4c01052},
url = {http://dx.doi.org/10.1021/acs.jctc.4c01052},
publisher = {American Chemical Society (ACS)},
keywords = {neural network},
highlight = {ANI/EFP: Modeling Long-Range Interactions in ANI Neural Network with Effective Fragment Potentials.},
citations = {8}
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