Learn molecular representations from large-scale unlabeled molecules for drug discovery. - Pengyong Li; Jun Wang 123; Yixuan Qiao; Hao Chen; Yihuan Yu; Xiaojun Yao; Peng Gao 015; Guotong Xie; Sen Song (CoRR, 2020)

An effective self-supervised framework for learning expressive molecular global representations to drug discovery. - Pengyong Li; Jun Wang 123; Yixuan Qiao; Hao Chen; Yihuan Yu; Xiaojun Yao; Peng Gao 015; Guotong Xie; Sen Song (Briefings Bioinform., 2021)