On Structural Interpretation of Several Distance Related Topological Indices

Milan Randić, Alexandra T. Balaban, Subhash C. Basak

Research output: Contribution to journalArticlepeer-review

39 Scopus citations

Abstract

We consider the role that individual bonds play in bond-additivities in order to better understand the structural basis of various topological indices. In particular we consider indices closely related to the Wiener index (W) and the distance matrix and search for optimal weights of terminal and interior CC bonds in alkanes for a selection of physicochemical properties. It is interesting to note that different properties are associated with different relative roles of the exterior and the interior CC bonds.

Original languageEnglish (US)
Pages (from-to)593-601
Number of pages9
JournalJournal of chemical information and computer sciences
Volume41
Issue number3
DOIs
StatePublished - Jan 1 2001

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