Synergy of machine learning and density functional theory calculations for predicting experimental Lewis base affinity and Lewis polybase binding atoms

Fuente: Wiley Open Access
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Bibliographic Details
Main Authors: Hieu Huynh, Khanh Le, Linh Vu, Trang Nguyen, Matthew Holcomb, Stefano Forli, Hung Phan
Format: Artículo Open Access
Published: Wiley 2024
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