Discrimination of isomeric structures using information theoretic topological indices

C. Raychaudhury, S. K. Ray, J. J. Ghosh, A. B. Roy, S. C. Basak

Research output: Contribution to journalArticlepeer-review

115 Scopus citations

Abstract

Three newly defined information theoretic topological indices, namely “degree complexity (Id),” “graph vertex complexity (HV),” and “graph distance complexity (HD)” along with three other information indices have been used to study their discriminating power of 45 trees and 19 monocyclic graphs. It is found that the newly defined indices have satisfactory discriminating power while HD has been found to be the only index to discriminate all the graphs studied.

Original languageEnglish (US)
Pages (from-to)581-588
Number of pages8
JournalJournal of Computational Chemistry
Volume5
Issue number6
DOIs
StatePublished - Dec 1984

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