Jiancong Xie, Yi Wang, Jiahua Rao, Shuangjia Zheng, Yuedong Yang. Self-Supervised Contrastive Molecular Representation Learning with a Chemical Synthesis Knowledge Graph. Journal of Chemical Information and Computer Sciences, 64(6):1945-1954, 2024. [doi]
@article{XieWRZY24,
title = {Self-Supervised Contrastive Molecular Representation Learning with a Chemical Synthesis Knowledge Graph},
author = {Jiancong Xie and Yi Wang and Jiahua Rao and Shuangjia Zheng and Yuedong Yang},
year = {2024},
doi = {10.1021/acs.jcim.4c00157},
url = {https://doi.org/10.1021/acs.jcim.4c00157},
researchr = {https://researchr.org/publication/XieWRZY24},
cites = {0},
citedby = {0},
journal = {Journal of Chemical Information and Computer Sciences},
volume = {64},
number = {6},
pages = {1945-1954},
}