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"Multi-instance learning of graph neural networks for aqueous pKa prediction."
Jiacheng Xiong et al. (2022)
- Jiacheng Xiong, Zhaojun Li, Guangchao Wang, Zunyun Fu, Feisheng Zhong, Tingyang Xu
, Xiaomeng Liu, Ziming Huang, Xiaohong Liu, Kaixian Chen, Hualiang Jiang, Mingyue Zheng
:
Multi-instance learning of graph neural networks for aqueous pKa prediction. Bioinform. 38(3): 792-798 (2022)
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