Multi-instance learning of graph neural networks for aqueous pKa prediction.
Jiacheng XiongZhaojun LiGuangchao WangZunyun FuFeisheng ZhongTingyang XuXiaomeng LiuZiming HuangXiaohong LiuKaixian ChenHualiang JiangMingyue ZhengPublished in: Bioinform. (2022)