Practical Machine Learning Strategies. I. Correcting the MMFF Molecular Mechanics Model to More Accurately Provide Conformational Energy Differences in Flexible Organic Molecules

Fuente: Wiley Open Access
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Bibliographic Details
Main Authors: Thomas Hehre, Philip E. Klunzinger, Bernard Deppmeier, William Ohlinger, Warren Hehre
Format: Artículo Open Access
Published: Wiley 2025
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