QSAR Study of Catalytic Asymmetric Reactions with Topological Indices
Chen Jiang, Yougui Li, Qingshan Tian, Tianpa You · Journal of Chemical Information and Computer Sciences · 2003
The relationships between the e.e.% of product in catalytic asymmetry reaction and the structures of the catalyst and reagents in several asymmetric reactions were studied by using topological indices and their chiral expansions. The general regression method used can be applied to designing or screening a new asymmetric catalyst, predicting catalytic effects, and proving or improving the reaction mechanism supposed.