An adaptive graph learning method for automated molecular interactions and properties predictions. - Yuquan Li; Chang-Yu Hsieh; Ruiqiang Lu; Xiaoqing Gong; Xiaorui Wang; Pengyong Li; Shuo Liu; Yanan Tian; Dejun Jiang 002; Jiaxian Yan; Qifeng Bai; Huanxiang Liu; et al. (Nat. Mach. Intell., 2022)

Improving drug-target affinity prediction via feature fusion and knowledge distillation. - Ruiqiang Lu; Jun Wang 123; Pengyong Li; Yuquan Li; Shuoyan Tan; Yiting Pan; Huanxiang Liu; Peng Gao 015; Guotong Xie; Xiaojun Yao (Briefings Bioinform., 2023)

3DSGIMD: An accurate and interpretable molecular property prediction method using 3D spatial graph focusing network and structure-based feature fusion. - Yanan Tian; Chenbin Wang; Ruiqiang Lu; Henry H. Y. Tong; Xiaoqing Gong; Jiayue Qiu; Shaoliang Peng; Xiaojun Yao; Huanxiang Liu (Future Gener. Comput. Syst., 2024)

A deep learning approach for rational ligand generation with toxicity control via reactive building blocks. - Pengyong Li; Kaihao Zhang; Tianxiao Liu; Ruiqiang Lu; Yangyang Chen 006; Xiaojun Yao; Lin Gao; Xiangxiang Zeng (Nat. Comput. Sci., 2024)