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)

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)

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)

Gram matrix: an efficient representation of molecular conformation and learning objective for molecular pretraining. - Wenkai Xiang; Feisheng Zhong; Lin Ni; Mingyue Zheng; Xutong Li; Qian Shi 005; Dingyan Wang (Briefings Bioinform., 2024)

Generic protein-ligand interaction scoring by integrating physical prior knowledge and data augmentation modelling. - Duanhua Cao; Geng Chen; Jiaxin Jiang; Jie Yu; Runze Zhang; Mingan Chen; Wei Zhang; Lifan Chen; Feisheng Zhong; Yingying Zhang; Chenghao Lu; Xutong Li; et al. (Nat. Mac. Intell., 2024)