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)

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)

Token-Mol 1.0: Tokenized drug design with large language model. - Jike Wang; Rui Qin; Mingyang Wang 004; Meijing Fang; Yangyang Zhang; Yuchen Zhu; Qun Su; Qiaolin Gou; Chao Shen 008; Odin Zhang; Zhenxing Wu; Dejun Jiang 002; et al. (CoRR, 2024)

Evaluation of AlphaFold2 Structures for Hit Identification across Multiple Scenarios. - Shukai Gu; Yuwei Yang; Yihao Zhao; Jiayue Qiu; Xiaorui Wang; Henry Hoi Yee Tong; Liwei Liu; Xiaozhe Wan; Huanxiang Liu; Tingjun Hou; Yu Kang 002 (J. Chem. Inf. Model., 2024)