On ve-Degree Irregularity Index of Graphs and Its Applications as Molecular Descriptor
Kinkar Chandra Das, Sourav Mondal
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 ve-degree irregularity index (irrve). Quantitative structure property relationship (QSPR) analysis explores the capability of an index to model numerous properties of molecules. We investigate the usefulness of the irrve index in predicting different physico-chemical properties by carrying out QSPR analysis. It is established that the irrve index is efficient to explain the acentric factor and boiling point of molecules with powerful accuracy. An upper bound of irrve 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.