"Explainable Graph Neural Networks with Data Augmentation for Predicting ..."

Hongle An et al. (2024)

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DOI: 10.1021/ACS.JCIM.3C00958

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type: Journal Article

metadata version: 2024-05-17

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Hongle An, Xuyang Liu, Wensheng Cai, Xueguang Shao:
Explainable Graph Neural Networks with Data Augmentation for Predicting pK_a of C-H Acids. J. Chem. Inf. Model. 64(7): 2383-2392 (2024)

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