ABSTRACT
Department of Organic Chemistry, Faculty of Industrial Chemistry, Oflciul 12 CP 243, 78100 Bucharest, Romania
The sum of the molecular graph distances gives the Wiener topological index, a widely used chemical descriptor for structure-property correlations. The interest of developing new chemical structure descriptors from molecular graph distances revived in recent years, when topological indices found new applications in database mining, similarity and diversity assessment. New symmetric matrices obtained from molecular graph distances are presented: distance-valency, Szeged, and Cluj matrices. Nonsymmetric graph matrices were defined with the intention to encode more information on graph structure; examples are provided for the computation of nonsymmetric detour-distance, Szeged, and Cluj matrices. The recent graph descriptors related to the Wiener index are presented; a particular attention is given to the Kirchhoff, Szeged, Cluj, distance-valency indices as well as their numerous variants and generalizations. Correlation of these topological indices with physico-chemical properties of molecules are examined.
