RSscore: Reaction Superiority Learned from Reaction Mapping Hypergraph
Chenyang Xu, Lijuan Guo, Lei Zhang*
Frontiers Science Center for Smart Materials Oriented Chemical Engineering, Institute of Chemical Process Systems Engineering, School of Chemical Engineering, Dalian University of Technology, Dalian 116024, China
KEYWORDS: Machine learning; Computer-aided synthesis planning; Reaction evaluation indicator; Reaction graph; Graph contractive learning.