1 code implementation • RSC advances 2020 • Mingjian Jiang, Zhen Li, Shugang Zhang, Shuang Wang, XiaoFeng Wang, Qing Yuan, Zhiqiang Wei
Computer-aided drug design uses high-performance computers to simulate the tasks in drug design, which is a promising research area.
Ranked #3 on Drug Discovery on LIT-PCBA(ESR1_ant)
1 code implementation • Journal of Chemical Information and Modeling 2019 • Xiao-Feng Wang, Zhen Li, Mingjian Jiang, Shuang Wang, Shugang Zhang, Zhiqiang Wei
And, multiple C-SGELs are stacked to construct a convolution spatial graph embedding network (C-SGEN) for end-to-end representation learning.
Ranked #2 on Graph Regression on Lipophilicity