Self-Supervised Contrastive Molecular Representation Learning with a Chemical Synthesis Knowledge Graph.
Title: | Self-Supervised Contrastive Molecular Representation Learning with a Chemical Synthesis Knowledge Graph. |
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Authors: | Xie, Jiancong, Wang, Yi, Rao, Jiahua, Zheng, Shuangjia, Yang, Yuedong |
Source: | Journal of Chemical Information & Modeling; 3/25/2024, Vol. 64 Issue 6, p1945-1954, 10p |
Database: | Supplemental Index |
ISSN: | 15499596 |
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DOI: | 10.1021/acs.jcim.4c00157 |
Published in: | Journal of Chemical Information & Modeling |
Language: | English |