Expected Values of Some Molecular Descriptors in Random Cyclooctane Chains

The modified second Zagreb index, symmetric difference index, inverse symmetric index, and augmented Zagreb index are among the molecular descriptors which have good correlations with some physicochemical properties (such as formation heat, total surface area, etc.) of chemical compounds. By a random cyclooctane chain, we mean a molecular graph of a saturated hydrocarbon containing at least two rings such that all rings are cyclooctane, every ring is joint with at most two other rings through a single bond, and exactly two rings are joint with one other ring. In this article, our main purpose is to determine the expected values of the aforementioned molecular descriptors of random cyclooctane chains explicitly. We also make comparisons in the form of explicit formulae and numerical tables consisting of the expected values of the considered descriptors of random cyclooctane chains. Moreover, we outline the graphical profiles of these comparisons among the mentioned descriptors.

On Analysis of Topological Aspects for Subdivision of Kragujevac Tree Networks

In this paper, we have taken review of certain topological topological characteristics of subdivision and the line graph of subdivision of Kragujevac tree. A Kragujevac tree is denoted by K , K ∈ Kg q = r 2 t + 1 + 1 , r , with order r 2 t + 1 + 1 and size r 2 t + 1 , respectively. We have computed the Zagreb polynomials, forgotten polynomial, and M-polynomial for Kragujevac tree. Moreover, we have computed topological indices like Zagreb-type indices, reduced reciprocal Randić indices, family of Gourava indices as well as forgotten index. Further, some topological indices that can be directly derived from M-polynomial, i.e., first and second Zagreb index, modified second Zagreb index, Randić and reciprocal Randić index, symmetric division and harmonic index, and inverse sum and augmented Zagreb index are also computed.

On Computation Degree-Based Topological Descriptors for Planar Octahedron Networks

A molecular graph is used to represent a chemical molecule in chemical graph theory, which is a branch of graph theory. A graph is considered to be linked if there is at least one link between its vertices. A topological index is a number that describes a graph’s topology. Cheminformatics is a relatively young discipline that brings together the field of sciences. Cheminformatics helps in establishing QSAR and QSPR models to find the characteristics of the chemical compound. We compute the first and second modified K-Banhatti indices, harmonic K-Banhatti index, symmetric division index, augmented Zagreb index, and inverse sum index and also provide the numerical results.

M-Polynomials and Degree-Based Topological Indices of the Molecule Copper(I) Oxide

Topological indices are numerical parameters used to study the physical and chemical residences of compounds. Degree-based topological indices have been studied extensively and can be correlated with many properties of the understudy compounds. In the factors of degree-based topological indices, M-polynomial played an important role. In this paper, we derived closed formulas for some well-known degree-based topological indices like first and second Zagreb indices, the modified Zagreb index, the symmetric division index, the harmonic index, the Randić index and inverse Randić index, and the augmented Zagreb index using calculus.

Erratum to "Complete Characterization of Trees with Maximal Augmented Zagreb Index"

The augmented Zagreb index (AZI) has attracted more and more attentions in the past years. Some significant mathematical properties of AZI were obtained. In particular, Lin et al. [MATCH Commun. Math. Comput. Chem. 83 (2020) 167] recently claimed a complete solution to the problem of characterizing n-vertex tree(s) with maximal AZI. In this note we correct some errors in the paper.

Sharp Bounds on the Augmented Zagreb Index of Graph Operations

Let G be a finite and simple graph with edge set E(G). The augmented Zagreb index of G is ( ) ∑ dG (u )dG (v) 3 AZI (G ) = ---------------------- , dG (u ) + dG (v) − 2 uv∈E(G ) where dG(u) denotes the degree of a vertex u in G. In this paper, we give some bounds of this index for join, corona, cartesian and composition product of graphs by general sum-connectivity index and general Randić index and compute the sharp amount of that for the regular graphs.