Related papers: More on Comparison Between First Geometric-Arithme…

The concept of geometric-arithmetic index was introduced in the chemical graph theory recently, but it has shown to be useful. The aim of this paper is to obtain new inequalities involving the geometric-arithmetic index $GA_1$ and…

Let $G$ be a graph with order $n(G)$, size $m(G)$, first Zagreb index $M_1(G)$, and second Zagreb index $M_2(G)$. More than twenty years ago, it was conjectured that $\frac{M_1(G)}{n(G)} \leq \frac{M_2(G)}{m(G)}$. Later, Hansen and…

The concept of geometric-arithmetic index was introduced in the chemical graph theory recently, but it has shown to be useful. The aim of this paper is to obtain new inequalities involving the geometric-arithmetic index $GA_1$ and…

The Sombor index $SO(G)$ of a graph $G$ is the sum of the edge weights $\sqrt{d^2_G(u)+d^2_G(v)}$ of all edges $uv$ of $G$, where $d_G(u)$ denotes the degree of the vertex $u$ in $G$. A connected graph $G = (V ,E)$ is called a quasi-tree,…

For a (molecular) graph, the first multiplicative Zagreb index $\prod_1(G) $ is the product of the square of every vertex degree, and the second multiplicative Zagreb index $\prod_2(G) $ is the product of the products of degrees of pairs of…

Let $G$ be a graph. Denote by $d_x$, $E(G)$, and $D(G)$ the degree of a vertex $x$ in $G$, the set of edges of $G$, and the degree set of $G$, respectively. This paper proposes to investigate (both from mathematical and applications points…

For a molecular graph, the first multiplicative Zagreb index $\Pi_1$ is equal to the product of the square of the degree of the vertices, while the second multiplicative Zagreb index $\Pi_2$ is equal to the product of the endvertex degree…

Let $\delta$ and $\Delta$ be the minimum and the maximum degree of the vertices of a simple connected graph $G$, respectively. The distinguishing index of a graph $G$, denoted by $D'(G)$, is the least number of labels in an edge labeling of…

The independence number $\alpha(G)$ and the dissociation number ${\rm diss}(G)$ of a graph $G$ are the largest orders of induced subgraphs of $G$ of maximum degree at most $0$ and at most $1$, respectively. We consider possible improvements…

Although algebraic graph theory based models have been widely applied in physical modeling and molecular studies, they are typically incompetent in the analysis and prediction of biomolecular properties when compared with other quantitative…

In this paper we characterize the unique graph whose algebraic connectivity is minimum among all connected graphs with given order and fixed matching number or edge covering number, and present two lower bounds for the algebraic…

Given a graph $G,$ a subset of vertices is called a maximum dissociation set of $G$ if it induces a subgraph with vertex degree at most 1, and the subset has maximum cardinality. The cardinality of a maximum dissociation set is called the…

Let $G$ be a graph with adjacency matrix $A(G)$ and let $D(G)$ be the diagonal matrix of vertex degrees of $G$. For any real $\alpha \in [0,1]$, Nikiforov defined the $A_\alpha$-matrix of a graph $G$ as $A_\alpha(G)=\alpha…

A connected graph $G$ is said to be $k$-connected if it has more than $k$ vertices and remains connected whenever fewer than $k$ vertices are deleted. In this paper, for a connected graph $G$ with sufficiently large order, we present a…

A conjecture of AutoGraphiX on the relation between the Randi\'c index $R$ and the algebraic connectivity $a$ of a connected graph $G$ is: $$\frac R a\leq (\frac{n-3+2\sqrt{2}}{2})/(2(1- \cos {\frac{\pi}{n}})) $$ with equality if and only…

Molecular structure-property relationships are key to molecular engineering for materials and drug discovery. The rise of deep learning offers a new viable solution to elucidate the structure-property relationships directly from chemical…

Molecular representation learning is a crucial task in predicting molecular properties. Molecules are often modeled as graphs where atoms and chemical bonds are represented as nodes and edges, respectively, and Graph Neural Networks (GNNs)…

The principal ratio of a connected graph, denoted $\gamma(G)$, is the ratio of the maximum and minimum entries of its first eigenvector. Cioab\u{a} and Gregory conjectured that the graph on $n$ vertices maximizing $\gamma(G)$ is a kite…

The general sum-connectivity index of a graph $G$ is defined as $\chi_\alpha(G)=\sum\limits_{uv\in E(G)} {(d(u)+d(v))^{\alpha}}$, where $d(v)$ denotes the degree of the vertex $v$ in $G$ and $\alpha$ is a real number. In this paper it is…

Introduction: molecular geometry, the three-dimensional arrangement of atoms within a molecule, is fundamental to understanding chemical reactivity, physical properties, and biological activity. The prevailing models used to describe…