A Graph Convolutional Network-based screening strategy for rapid identification of SARS-CoV-2 cell-entry inhibitors
Peng Gao, Miao Xu, Qi Zhang, Catherine Z. Chen, Hui Guo, Yihong Ye, Wei Zheng, Min Shen
The paper develops a graph convolutional network to screen compounds for SARS-CoV-2 entry inhibitors, identifying 16 active compounds from 170,000 virtual candidates.
Journal of Chemical Information and Modeling · Apr 11, 2022Peer-reviewedBioinformatics