Accurate Prediction of Aqueous Free Solvation Energies Using 3D Atomic Feature-Based Graph Neural Network with Transfer Learning - researchr publication

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DongDong Zhang, Song Xia, Yingkai Zhang. Accurate Prediction of Aqueous Free Solvation Energies Using 3D Atomic Feature-Based Graph Neural Network with Transfer Learning. Journal of Chemical Information and Computer Sciences, 62(8):1840-1848, 2022. [doi]

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