Neighbourhood Sum VDB Indices and Entropy for Specific Types of Molecular Graphs

Abstract

Introduction: Numerous TIs for different molecular graphs have been found and studied. The entropy measurements and the neighbourhood sum degree-based M-polynomial are derived for the six different anti-asthmatic drugs by using a set of 19 degree-based topological indices in this article.

Objectives: Develop the neighbourhood sum degree-based M-polynomial for different anti-asthmatic drugs to characterize their molecular graphs. Compare the entropy measurements obtained for them.

Methods: Based on these molecular descriptors, it is practical and effective to analyse the mathematical values and conduct additional research on a molecule's numerous physical properties. They offer helpful substitutes for drawn-out, costly, and labour-intensive laboratory investigations. Using quantitative structure-activity relationships (QSARs) and quantitative structure-property relationships (QSPRs), the topological indices can be utilized to predict chemical structures, physicochemical properties, and biological activities.

Results: Based on their matching molecular structures, the topological indices of the six different anti-asthmatic drugs   are determined in this article.

Conclusions: A graphical comparison of the calculated indices is made to examine how they relate to the molecular structure and to one another.