On ve-Degree Irregularity Index of Graphs and Its Applications as Molecular Descriptor

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Abstract

Most of the molecular graphs in the area of mathematical chemistry are irregular. Therefore, irregularity measure is a crucial parameter in chemical graph theory. One such measure that has recently been proposed is the (Formula presented.) -degree irregularity index ((Formula presented.)). Quantitative structure property relationship (QSPR) analysis explores the capability of an index to model numerous properties of molecules. We investigate the usefulness of the (Formula presented.) index in predicting different physico-chemical properties by carrying out QSPR analysis. It is established that the (Formula presented.) index is efficient to explain the acentric factor and boiling point of molecules with powerful accuracy. An upper bound of (Formula presented.) for the class of all trees is computed with identifying extremal graphs. We noticed that the result is not correct. In this report, we provide a counter example to justify our argument and determine the correct outcome.

Original languageEnglish
Article number2406
JournalSymmetry
Volume14
Issue number11
DOIs
StatePublished - Nov 2022

Keywords

  • irregularity index
  • molecular graph
  • QSPR analysis
  • tree
  • ve-degree

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