Multi-instance learning of graph neural networks for aqueous pKa prediction.
Xiong J, Li Z, Wang G, Fu Z, Zhong F, Xu T, Liu X, Huang Z, Liu X, Chen K, Jiang H, Zheng M.
Xiong J, et al. Among authors: chen k.
Bioinformatics. 2022 Jan 12;38(3):792-798. doi: 10.1093/bioinformatics/btab714.
Bioinformatics. 2022.
PMID: 34643666
Free PMC article.