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"Combining machine learning and quantum mechanics yields more chemically ..."
Sara Tortorella et al. (2021)
- 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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