HiCLR: Knowledge-Induced Hierarchical Contrastive Learning with Retrosynthesis Prediction Yields a Reaction Foundation Model
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| Main Authors: | , , , , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
American Chemical Society
2025-06-01
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| Series: | JACS Au |
| Online Access: | https://doi.org/10.1021/jacsau.5c00289 |
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| _version_ | 1849730022807437312 |
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| author | Jialu Wu Yiheng Zhu Xiaorui Wang Yitong Li Mingze Yin Tianyue Wang Yuqiang Han Yu Kang Yafeng Deng Jian Wu Chang-Yu Hsieh Tingjun Hou |
| author_facet | Jialu Wu Yiheng Zhu Xiaorui Wang Yitong Li Mingze Yin Tianyue Wang Yuqiang Han Yu Kang Yafeng Deng Jian Wu Chang-Yu Hsieh Tingjun Hou |
| author_sort | Jialu Wu |
| collection | DOAJ |
| format | Article |
| id | doaj-art-22fb3e646f2b486a97ac0694e39dc4ac |
| institution | DOAJ |
| issn | 2691-3704 |
| language | English |
| publishDate | 2025-06-01 |
| publisher | American Chemical Society |
| record_format | Article |
| series | JACS Au |
| spelling | doaj-art-22fb3e646f2b486a97ac0694e39dc4ac2025-08-20T03:09:00ZengAmerican Chemical SocietyJACS Au2691-37042025-06-01573140315510.1021/jacsau.5c00289HiCLR: Knowledge-Induced Hierarchical Contrastive Learning with Retrosynthesis Prediction Yields a Reaction Foundation ModelJialu Wu0Yiheng Zhu1Xiaorui Wang2Yitong Li3Mingze Yin4Tianyue Wang5Yuqiang Han6Yu Kang7Yafeng Deng8Jian Wu9Chang-Yu Hsieh10Tingjun Hou11College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang, ChinaCollege of Computer Science and Technology, Zhejiang University, Hangzhou, Zhejiang, ChinaState Key Laboratory of Quality Research in Chinese Medicine, Macau University of Science and Technology, Macao, ChinaCollege of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang, ChinaCollege of Computer Science and Technology, Zhejiang University, Hangzhou, Zhejiang, ChinaCollege of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang, ChinaCollege of Computer Science and Technology, Zhejiang University, Hangzhou, Zhejiang, ChinaCollege of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang, ChinaCarbonSilicon AI Technology Co., Ltd., Hangzhou, Zhejiang, ChinaSchool of Public Health, Zhejiang University, Hangzhou, Zhejiang, ChinaCollege of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang, ChinaCollege of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang, Chinahttps://doi.org/10.1021/jacsau.5c00289 |
| spellingShingle | Jialu Wu Yiheng Zhu Xiaorui Wang Yitong Li Mingze Yin Tianyue Wang Yuqiang Han Yu Kang Yafeng Deng Jian Wu Chang-Yu Hsieh Tingjun Hou HiCLR: Knowledge-Induced Hierarchical Contrastive Learning with Retrosynthesis Prediction Yields a Reaction Foundation Model JACS Au |
| title | HiCLR: Knowledge-Induced Hierarchical Contrastive Learning with Retrosynthesis Prediction Yields a Reaction Foundation Model |
| title_full | HiCLR: Knowledge-Induced Hierarchical Contrastive Learning with Retrosynthesis Prediction Yields a Reaction Foundation Model |
| title_fullStr | HiCLR: Knowledge-Induced Hierarchical Contrastive Learning with Retrosynthesis Prediction Yields a Reaction Foundation Model |
| title_full_unstemmed | HiCLR: Knowledge-Induced Hierarchical Contrastive Learning with Retrosynthesis Prediction Yields a Reaction Foundation Model |
| title_short | HiCLR: Knowledge-Induced Hierarchical Contrastive Learning with Retrosynthesis Prediction Yields a Reaction Foundation Model |
| title_sort | hiclr knowledge induced hierarchical contrastive learning with retrosynthesis prediction yields a reaction foundation model |
| url | https://doi.org/10.1021/jacsau.5c00289 |
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