Chemistry-informed deep learning model for predicting stereoselectivity and absolute configuration in asymmetric hydrogenation
Year: 2025
Type: article
Language: en
Topic: Machine Learning in Materials Science
Authors and affiliations:
raw_author_name: Li Cheng
raw_affiliation_strings: Guangdong Provincial Key Laboratory of Advanced Biomaterials, Shenzhen Intelligent Medical Engineering Laboratory, Department of Biomedical Engineering, Southern University of Science and Technology, Shenzhen, China
Joint Key Laboratory of the Ministry of Education, Institute of Applied Physics and Materials Engineering, University of Macau, Macau, China
raw_author_name: Pan-Lin Shao
raw_affiliation_strings: Guangzhou Municipal and Guangdong Provincial Key Laboratory of Molecular Target and Clinical Pharmacology, The NMPA and State Key Laboratory of Respiratory Disease, School of Pharmaceutical Sciences, Guangzhou Medical University, Guangzhou, China. shaopl@gzhmu.edu.cn
Guangzhou Municipal and Guangdong Provincial Key Laboratory of Molecular Target and Clinical Pharmacology, The NMPA and State Key Laboratory of Respiratory Disease, School of Pharmaceutical Sciences, Guangzhou Medical University, Guangzhou, China
raw_author_name: Jiahui Lv
raw_affiliation_strings: Guangdong Provincial Key Laboratory of Advanced Biomaterials, Shenzhen Intelligent Medical Engineering Laboratory, Department of Biomedical Engineering, Southern University of Science and Technology, Shenzhen, China
raw_author_name: Hongjun Xiao
raw_affiliation_strings: Guangdong Provincial Key Laboratory of Advanced Biomaterials, Shenzhen Intelligent Medical Engineering Laboratory, Department of Biomedical Engineering, Southern University of Science and Technology, Shenzhen, China
raw_author_name: Yanping Sun
raw_affiliation_strings: Guangdong Provincial Key Laboratory of Advanced Biomaterials, Shenzhen Intelligent Medical Engineering Laboratory, Department of Biomedical Engineering, Southern University of Science and Technology, Shenzhen, China
raw_author_name: Jingkai Yang
raw_affiliation_strings: Guangdong Provincial Key Laboratory of Advanced Biomaterials, Shenzhen Intelligent Medical Engineering Laboratory, Department of Biomedical Engineering, Southern University of Science and Technology, Shenzhen, China
raw_author_name: Ziyi Xu
raw_affiliation_strings: Guangdong Provincial Key Laboratory of Advanced Biomaterials, Shenzhen Intelligent Medical Engineering Laboratory, Department of Biomedical Engineering, Southern University of Science and Technology, Shenzhen, China
raw_author_name: Mingkun Lv
raw_affiliation_strings: Guangdong Provincial Key Laboratory of Advanced Biomaterials, Shenzhen Intelligent Medical Engineering Laboratory, Department of Biomedical Engineering, Southern University of Science and Technology, Shenzhen, China
raw_author_name: Guanghui Wang
raw_affiliation_strings: Guangdong Provincial Key Laboratory of Advanced Biomaterials, Shenzhen Intelligent Medical Engineering Laboratory, Department of Biomedical Engineering, Southern University of Science and Technology, Shenzhen, China
raw_author_name: Shaokang Zhao
raw_affiliation_strings: Guangdong Provincial Key Laboratory of Advanced Biomaterials, Shenzhen Intelligent Medical Engineering Laboratory, Department of Biomedical Engineering, Southern University of Science and Technology, Shenzhen, China
raw_author_name: Jiaxin Li
raw_affiliation_strings: Guangzhou Municipal and Guangdong Provincial Key Laboratory of Molecular Target and Clinical Pharmacology, The NMPA and State Key Laboratory of Respiratory Disease, School of Pharmaceutical Sciences, Guangzhou Medical University, Guangzhou, China
raw_author_name: Ziqi Jin
raw_affiliation_strings: Guangdong Provincial Key Laboratory of Advanced Biomaterials, Shenzhen Intelligent Medical Engineering Laboratory, Department of Biomedical Engineering, Southern University of Science and Technology, Shenzhen, China
raw_author_name: Xuan Tan
raw_affiliation_strings: Guangdong Provincial Key Laboratory of Advanced Biomaterials, Shenzhen Intelligent Medical Engineering Laboratory, Department of Biomedical Engineering, Southern University of Science and Technology, Shenzhen, China
raw_author_name: Guichuan Xing
raw_affiliation_strings: Joint Key Laboratory of the Ministry of Education, Institute of Applied Physics and Materials Engineering, University of Macau, Macau, China. gcxing@um.edu.mo
Joint Key Laboratory of the Ministry of Education, Institute of Applied Physics and Materials Engineering, University of Macau, Macau, China
raw_author_name: Bo Zhang
raw_affiliation_strings: Guangdong Provincial Key Laboratory of Advanced Biomaterials, Shenzhen Intelligent Medical Engineering Laboratory, Department of Biomedical Engineering, Southern University of Science and Technology, Shenzhen, China. zhangb3@sustech.edu.cn
Guangdong Provincial Key Laboratory of Advanced Biomaterials, Shenzhen Intelligent Medical Engineering Laboratory, Department of Biomedical Engineering, Southern University of Science and Technology, Shenzhen, China