MG-BERT: leveraging unsupervised atomic representation learning for molecular property prediction - Zhang, Xiao-Chen; Wu, Cheng-Kun; Yang, Zhi-Jiang; Wu, Zhen-Xing; Yi, Jia-Cai; Hsieh, Chang-Yu; Hou, Ting-Jun; Cao, Dong-Sheng (Briefings in bioinformatics, 2021)
Keywords: Models, Theoretical; Neural Networks, Computer; atomic representation; deep learning; self-supervised learning; molecular graph BERT; molecular property prediction