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)

DrugSpaceX: a large screenable and synthetically tractable database extending drug space. - Tianbiao Yang; Zhaojun Li; Yingjia Chen; Dan Feng; Guangchao Wang; Zunyun Fu; Xiaoyu Ding; Xiaoqin Tan; Jihui Zhao; Xiaomin Luo; Kaixian Chen; Hualiang Jiang; et al. (Nucleic Acids Res., 2021)

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)

Blood-brain barrier penetration prediction enhanced by uncertainty estimation. - Xiaochu Tong; Dingyan Wang; Xiaoyu Ding; Xiaoqin Tan; Qun Ren; Geng Chen; Yu Rong 001; Tingyang Xu; Junzhou Huang; Hualiang Jiang; Mingyue Zheng; Xutong Li (J. Cheminformatics, 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)