KinomeX: a web application for predicting kinome-wide polypharmacology effect of small molecules. - Zhaojun Li; Xutong Li; Xiaohong Liu 002; Zunyun Fu; Zhaoping Xiong; Xiaolong Wu; Xiaoqin Tan; Jihui Zhao; Feisheng Zhong; Xiaozhe Wan; Xiaomin Luo; Kaixian Chen; et al. (Bioinform., 2019)

TransformerCPI: improving compound-protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments. - Lifan Chen; Xiaoqin Tan; Dingyan Wang; Feisheng Zhong; Xiaohong Liu 002; Tianbiao Yang; Xiaomin Luo; Kaixian Chen; Hualiang Jiang; Mingyue Zheng; Arne Elofsson (Bioinform., 2020)

An inductive graph neural network model for compound-protein interaction prediction based on a homogeneous graph. - Xiaozhe Wan; Xiaolong Wu; Dingyan Wang; Xiaoqin Tan; Xiaohong Liu 002; Zunyun Fu; Hualiang Jiang; Mingyue Zheng; Xutong Li (Briefings Bioinform., 2022)

Multi-instance learning of graph neural networks for aqueous pKa prediction. - Jiacheng Xiong; Zhaojun Li; Guangchao Wang; Zunyun Fu; Feisheng Zhong; Tingyang Xu; Xiaomeng Liu; Ziming Huang; Xiaohong Liu 002; Kaixian Chen; Hualiang Jiang; Mingyue Zheng (Bioinform., 2022)

Computing the relative binding affinity of ligands based on a pairwise binding comparison network. - Jie Yu; Zhaojun Li; Geng Chen; Xiangtai Kong; Jie Hu; Dingyan Wang; Duanhua Cao; Yanbei Li; Ruifeng Huo; Gang Wang; Xiaohong Liu 002; Hualiang Jiang; et al. (Nat. Comput. Sci., 2023)

MolFilterGAN: a progressively augmented generative adversarial network for triaging AI-designed molecules. - Xiaohong Liu 002; Wei Zhang; Xiaochu Tong; Feisheng Zhong; Zhaojun Li; Zhaoping Xiong; Jiacheng Xiong; Xiaolong Wu; Zunyun Fu; Xiaoqin Tan; Zhiguo Liu; Sulin Zhang; et al. (J. Cheminformatics, 2023)