"Combining machine learning and quantum mechanics yields more chemically ..."

Sara Tortorella et al. (2021)

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DOI: 10.1002/JCC.26737

access: open

type: Journal Article

metadata version: 2023-09-12

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Sara Tortorella, Emanuele Carosati, Giulia Sorbi, Giovanni Bocci, Simon Cross, Gabriele Cruciani, Loriano Storchi:
Combining machine learning and quantum mechanics yields more chemically aware molecular descriptors for medicinal chemistry applications. J. Comput. Chem. 42(29): 2068-2078 (2021)

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