Enhanced Template-Free Reaction Prediction with Molecular Graphs and Sequence-based Data Augmentation. - Haozhe Hu; Yongquan Jiang; Yan Yang 001; Jim X. Chen (CIKM, 2023)

BiG2S: A dual task graph-to-sequence model for the end-to-end template-free reaction prediction. - Haozhe Hu; Yongquan Jiang; Yan Yang 001; Jim X. Chen (Appl. Intell., 2023)