Fast and Accurate Ring Strain Energy Predictions with Machine Learning and Application in Strain-Promoted Reactions
Zhen Liu, Jessica Vinskus, Yue Fu, Peng Liu, Kevin J. T. Noonan, Olexandr Isayev
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Fast and Accurate Ring Strain Energy Predictions with Machine Learning and Application in Strain-Promoted Reactions.
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@article{Liu2025,
author = {Liu, Zhen and Vinskus, Jessica and Fu, Yue and Liu, Peng and Noonan, Kevin J. T. and Isayev, Olexandr},
title = {Fast and Accurate Ring Strain Energy Predictions with Machine Learning and Application in Strain-Promoted Reactions},
year = {2025},
journal = {JACS Au},
volume = {5},
number = {10},
pages = {4750--4761},
doi = {10.1021/jacsau.5c00667},
url = {http://dx.doi.org/10.1021/jacsau.5c00667},
publisher = {American Chemical Society (ACS)},
keywords = {machine learning},
highlight = {Fast and Accurate Ring Strain Energy Predictions with Machine Learning and Application in Strain-Promoted Reactions.}
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