M-Polynomials and Degree-Based Topological Indices of Triangular, Hourglass, and Jagged-Rectangle Benzenoid Systems

Young Chel Kwun,Shin Min Kang,Waqas Nazeer,Ashaq Ali,Maqbool Ahmad Chaudhary

doi:10.1155/2018/8213950

Abstract

Chemical graph theory is a branch of mathematical chemistry which has an important effect on the development of the chemical sciences. The study of topological indices is currently one of the most active research fields in chemical graph theory. Topological indices help to predict many chemical and biological properties of chemical structures under study. The aim of this report is to study the molecular topology of some benzenoid systems. M-polynomial has wealth of information about the degree-based topological indices. We compute M-polynomials for triangular, hourglass, and jagged-rectangle benzenoid systems, and from these M-polynomials, we recover nine degree-based topological indices. Our results play a vital role in pharmacy, drug design, and many other applied areas.

Highlights

Mathematical chemistry provides tools such as polynomials and functions to capture information hidden in the symmetry of molecular graphs and predict properties of compounds without using quantum mechanics
A topological index is a numerical parameter of a graph and depicts its topology
Topological indices describe the structure of molecules numerically and are used in the development of qualitative structure activity relationships (QSARs)

Summary

Research Article

M-Polynomials and Degree-Based Topological Indices of Triangular, Hourglass, and Jagged-Rectangle Benzenoid Systems. Young Chel Kwun ,1 Ashaq Ali, Waqas Nazeer ,3 Maqbool Ahmad Chaudhary, and Shin Min Kang 4,5. Chemical graph theory is a branch of mathematical chemistry which has an important effect on the development of the chemical sciences. E study of topological indices is currently one of the most active research fields in chemical graph theory. Topological indices help to predict many chemical and biological properties of chemical structures under study. E aim of this report is to study the molecular topology of some benzenoid systems. M-polynomial has wealth of information about the degree-based topological indices. We compute M-polynomials for triangular, hourglass, and jagged-rectangle benzenoid systems, and from these M-polynomials, we recover nine degree-based topological indices. Our results play a vital role in pharmacy, drug design, and many other applied areas

Introduction

Computational Results

Name of index

Conclusion