AIScaffold: A Web-Based Tool for Scaffold Diversification Using Deep Learning. - Junyong Lai; Xiangbin Li; Yanxing Wang; Shiqiu Yin; Jielong Zhou; Zhenming Liu (J. Chem. Inf. Model., 2021)

G2GT: Retrosynthesis Prediction with Graph to Graph Attention Neural Network and Self-Training. - Zaiyun Lin; Shiqiu Yin; Lei Shi; Wenbiao Zhou; YingSheng Zhang (CoRR, 2022)

Observing Noncovalent Interactions in Experimental Electron Density for Macromolecular Systems: A Novel Perspective for Protein-Ligand Interaction Research. - Kang Ding; Shiqiu Yin; Zhongwei Li; Shiju Jiang; Yang Yang; Wenbiao Zhou; Yingsheng J. Zhang; Bo Huang (J. Chem. Inf. Model., 2022)

G2GT: Retrosynthesis Prediction with Graph-to-Graph Attention Neural Network and Self-Training. - Zaiyun Lin; Shiqiu Yin; Lei Shi; Wenbiao Zhou; Yingsheng J. Zhang (J. Chem. Inf. Model., 2023)