Enhancing Generic Reaction Yield Prediction through Reaction Condition-Based Contrastive Learning
1Dr. Neher's Biophysics Laboratory for Innovative Drug Discovery, State Key Laboratory of Quality Research in Chinese Medicine, Macau Institute for Applied Research in Medicine and Health, Macau University of Science and Technology, Macao 999078, China.
2 Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China.
3Faculty of Applied Sciences, Macao Polytechnic University, Macao 999078, China.
4 CarbonSilicon AI Technology Co. Ltd, Hangzhou, Zhejiang 310018, China.
5Center of Chemistry and Chemical Biology, Guangzhou Regenerative Medicine and Health Guangdong Laboratory, Guangzhou 510530, China.
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