ReLMole: Molecular Representation Learning Based on Two-Level Graph Similarities. - Zewei Ji; Runhan Shi; Jiarui Lu; Fang Li; Yang Yang 030 (J. Chem. Inf. Model., 2022)

BatGPT-Chem: A Foundation Large Model For Retrosynthesis Prediction. - Yifei Yang; Runhan Shi; Zuchao Li; Shu Jiang; Bao-Liang Lu; Yang Yang 030; Hai Zhao 001 (CoRR, 2024)

Prediction of chemical reaction yields with large-scale multi-view pre-training. - Runhan Shi; Gufeng Yu; Xiaohong Huo; Yang Yang 030 (J. Cheminformatics, 2024)

Machine Learning for Reaction Performance Prediction in Allylic Substitution Enhanced by Automatic Extraction of a Substrate-Aware Descriptor. - Gufeng Yu; Xi Wang; Yichong Luo; Guanlin Li; Rui Ding; Runhan Shi; Xiaohong Huo; Yang Yang 030 (J. Chem. Inf. Model., 2025)