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An Ensemble Structure and Physicochemical (SPOC) Descriptor for Machine-Learning Prediction of Chemical Reaction and Molecular Properties.
Chemphyschem. 2022 Jul 19;23(14):e202200255. doi: 10.1002/cphc.202200255. Epub 2022 May 19.
Chemphyschem. 2022.
PMID: 35478429
Prediction of Nucleophilicity and Electrophilicity Based on a Machine-Learning Approach.
Liu Y, Yang Q, Cheng J, Zhang L, Luo S, Cheng JP.
Liu Y, et al.
Chemphyschem. 2023 Jul 17;24(14):e202300162. doi: 10.1002/cphc.202300162. Epub 2023 Jun 2.
Chemphyschem. 2023.
PMID: 37132072
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