Molecular Properties of Symmetrical Networks Using Topological Polynomials

Muhammad Hussain,Muhammad Kamran Siddiqui,Muhammad Saeed,Jia-Bao Liu,Xing-Long Wang,Maqsood Ahmad

doi:10.1515/chem-2019-0109

Abstract

AbstractA numeric quantity that comprehend characteristics of molecular graph Γ of chemical compound is known as topological index. This number is, in fact, invariant with respect to symmetry properties of molecular graph Γ. Many researchers have established, after diverse studies, a parallel between the physico chemical properties like boiling point, stability, similarity, chirality and melting point of chemical species and corresponding chemical graph. These descriptors defined on chemical graphs are extremely helpful for researchers to conduct regression model like QSAR/QSPR and better understand the physical features, complexity of molecules, chemical and biological properties of underlying compound.In this paper, several structure descriptors of vital importance, namely, first, second, modified and augmented Zagreb indices, inverse and general Randic indices, symmetric division, harmonic, inverse sum and forgotten indices of Hex-derived Meshes (networks) of two kinds, namely, HDN1(n) and HDN2(n) are computed and recovered using general approach of topological polynomials.

Highlights

A numeric quantity that comprehend characteristics of molecular graph Γ of chemical compound is known as topological index
We provide M-polynomials of two interesting networks HDN (n) and HDN (n)
We o er closed form formulae of several degree-based topological indices of vital importance such as rst, second, modi ed and augmented Zagreb indices, general and inverse Randić indices, SSD, harmonic index (HI), inverse sum index (ISI) and forgotten index of HDN (n) and HDN (n) are computed and recovered using topological polynomials attained in previous step

Summary

Introduction

Abstract: A numeric quantity that comprehend characteristics of molecular graph Γ of chemical compound is known as topological index This number is, invariant with respect to symmetry properties of molecular graph Γ. After diverse studies, a parallel between the physico chemical properties like boiling point, stability, similarity, chirality and melting point of chemical species and corresponding chemical graph. These descriptors de ned on chemical graphs are extremely helpful for researchers to conduct regression model like QSAR/QSPR and better understand the physical features, complexity of molecules, chemical and biological properties of underlying compound. Several structure descriptors of vital importance, namely, rst, second, modi ed and augmented Zagreb indices, inverse and general Randic indices, symmetric division, harmonic, inverse sum and forgotten indices of Hex-derived Meshes (networks) of two kinds, namely, HDN (n) and HDN (n) are computed and recovered using general approach of topological polynomials.

Results

Discussion

Conclusion