JACS Au
(Jun 2025)
HiCLR: Knowledge-Induced Hierarchical Contrastive Learning with Retrosynthesis Prediction Yields a Reaction Foundation Model
- 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
Affiliations
- Jialu Wu
- College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang, China
- Yiheng Zhu
- College of Computer Science and Technology, Zhejiang University, Hangzhou, Zhejiang, China
- Xiaorui Wang
- State Key Laboratory of Quality Research in Chinese Medicine, Macau University of Science and Technology, Macao, China
- Yitong Li
- College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang, China
- Mingze Yin
- College of Computer Science and Technology, Zhejiang University, Hangzhou, Zhejiang, China
- Tianyue Wang
- College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang, China
- Yuqiang Han
- College of Computer Science and Technology, Zhejiang University, Hangzhou, Zhejiang, China
- Yu Kang
- College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang, China
- Yafeng Deng
- CarbonSilicon AI Technology Co., Ltd., Hangzhou, Zhejiang, China
- Jian Wu
- School of Public Health, Zhejiang University, Hangzhou, Zhejiang, China
- Chang-Yu Hsieh
- College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang, China
- Tingjun Hou
- College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang, China
- DOI
-
https://doi.org/10.1021/jacsau.5c00289
- Journal volume & issue
-
Vol. 5,
no. 7
pp.
3140
– 3155
WeChat QR code
