New topological indices for distinguishing between enantiomers and stereoisomers: A mathematical analysis

摘要

Two structure-descriptors: the optical topological index (I_opt), distinguishing between enantiomers, and the stereoisomeric topological index (ISTI), distinguishing between stercoisomers, were recently introduced. Both I_opt and ISTI are defined via the distance matrix of the respective molecular graph. We now establish some fundamental properties of I_opt and ISTI and, in particular. Show how they are related to the Wiener index.