A deep learning framework for accurate reaction prediction and its application on high-throughput experimentation data. - Baiqing Li; Shimin Su; Chan Zhu; Jie Lin; Xinyue Hu; Lebin Su; Zhunzhun Yu; Kuangbiao Liao; Hongming Chen (J. Cheminformatics, 2023)

Enhanced Regioselectivity Prediction of sp2 C-H Halogenation via Negative Data Augmentation and Multimodel Integration. - Zhiting Zhang; Jia Qiu; Jiajun Zheng; Zhunzhun Yu; Lebin Su; Qianghua Lin; Chonghuan Zhang; Kuangbiao Liao (J. Chem. Inf. Model., 2025)