PTID: an integrated web resource and computational tool for agrochemical discovery. - Jiayu Gong; Xiaofeng Liu 005; Xianwen Cao; Yanyan Diao; Daqi Gao; Honglin Li 003; Xuhong Qian (Bioinform., 2013)

MacFrag: segmenting large-scale molecules to obtain diverse fragments with high qualities. - Yanyan Diao; Feng Hu; Zihao Shen; Honglin Li 003 (Bioinform., 2023)

Enhancing Chemical Reaction Monitoring with a Deep Learning Model for NMR Spectra Image Matching to Target Compounds. - Zijing Tian; Yan Dai 013; Feng Hu; Zihao Shen; Hongling Xu; Hongwen Zhang 008; Jinhang Xu; Yuting Hu; Yanyan Diao; Honglin Li 003 (J. Chem. Inf. Model., 2024)

RPSubAlign: a novel sequence-based molecular representation method for retrosynthesis prediction with improved validity and robustness. - Yuting Hu; Feng Hu; Hongwen Zhang 008; Hongling Xu; Jixiang Gao; Wenshuai Deng; Zijing Tian; Qiaoyu Hu; Honglin Li 003; Yanyan Diao (Briefings Bioinform., 2025)