"Practical Machine Learning Strategies. I. Correcting the MMFF Molecular ..."

Thomas Hehre et al. (2025)

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DOI: 10.1002/JCC.70016

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type: Journal Article

metadata version: 2025-03-03

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Thomas Hehre, Philip E. Klunzinger, Bernard Deppmeier, William Ohlinger, Warren Hehre:
Practical Machine Learning Strategies. I. Correcting the MMFF Molecular Mechanics Model to More Accurately Provide Conformational Energy Differences in Flexible Organic Molecules. J. Comput. Chem. 46(1) (2025)

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