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.