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"Accurate Prediction of Aqueous Free Solvation Energies Using 3D Atomic ..."

Dongdong Zhang, Song Xia, Yingkai Zhang (2022)

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DOI: 10.1021/ACS.JCIM.2C00260

access: closed

type: Journal Article

metadata version: 2023-08-28

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  - journals/jcisd/ZhangXZ22
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  - https://dblp.org/rec/journals/jcisd/ZhangXZ22
Dongdong Zhang, Song Xia, Yingkai Zhang:
Accurate Prediction of Aqueous Free Solvation Energies Using 3D Atomic Feature-Based Graph Neural Network with Transfer Learning. J. Chem. Inf. Model. 62(8): 1840-1848 (2022)

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