相关论文: Note on PI and Szeged indices

In this paper, we examine a specific type of random chains and propose an unified approach to studying the degree-based topological indices, including their extreme values. We derive explicit analytical expressions for the expected values…

In this paper, we present a dynamic programming approach for identifying extremal polyomino chains with respect to degree-based topological indices. This approach provides an explicit recurrence and constructive algorithm that enables both…

There are various topological indices for example distance based topological indices and degree based topological indices etc. In QSAR/QSPR study, physiochemical properties and topological indices for example atom bond connectivity index,…

Making use of a majorization technique for a suitable class of graphs, we derive upper and lower bounds for some topological indices depending on the degree sequence over all vertices, namely the first general Zagreb index and the first…

In this paper extremal values of the difference between several graph invariants related to the metric dimension are studied: mixed metric dimension, edge metric dimension and strong metric dimension. These non-trivial extremal values are…

Applications in chemistry motivated mathematicians to define different topological indices for different types of graphs. The Hyper-Zagreb index (HM) is an important tool as it integrates the first and the second Zagreb indices. In this…

Many existing degree based topological indices can be classified as bond incident degree (BID) indices, whose general form is $BID(G)=\sum_{uv\in E(G)}$ $\Psi(d_{u},d_{v})$, where $uv$ is the edge connecting the vertices $u,v$ of the graph…

Topological indices are scientific details of graphs which represents its topology and of the most part graph invariant. In QSAR/QSPR, physico-chemical characteristics and topological indices, for example, atom bond connectivity (ABC) and…

Let $\mathcal{H}$ be a hypergraph on the non-empty finite vertex set $V(\mathcal{H})$ with the hyperedge set $E(\mathcal{H})$, where each hyperedge $e \in E(\mathcal{H})$ is a subset of $V(\mathcal{H})$ with at least two vertices. This…

We perform a detailed statistical study of the distribution of topological and spectral indices on random graphs $G=(V,E)$ in a wide range of connectivity regimes. First, we consider degree-based topological indices (TIs), and focus on two…

The revised Szeged index of a graph $G$ is defined as $Sz^*(G)=\sum_{e=uv \in E}(n_u(e)+ n_0(e)/2)(n_v(e)+ n_0(e)/2),$ where $n_u(e)$ and $n_v(e)$ are, respectively, the number of vertices of $G$ lying closer to vertex $u$ than to vertex…

Quantitative Structure-Property Relationship (QSPR) analysis plays a crucial role in predicting physicochemical properties and biological activities of pharmaceutical compounds, aiding in drug design and optimization. This study focuses on…

The distance $d(u,v)$ between the vertices $u$ and $v$ of a connected graph $G$ is defined as the number of edges in a minimal path connecting them. The \emph{transmission} of a vertex $v$ of $G$ is defined by $\sigma(v)=\sum\limits_{u\in…

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…

Very recently, the first geometric-arithmetic index $GA$ and arithmetic-geometric index $AG$ were introduced in mathematical chemistry. In the present paper, we first obtain some lower and upper bounds on $AG$ and characterize the extremal…

Obtaining consistent explanations for machine learning on molecular graphs requires predictions and attributions to be aligned with chemical identity. However, chemically equivalent drawings of the same molecule can induce different…

Measures of the irregularity of chemical graphs could be helpful for QSAR/QSPR studies and for the descriptive purposes of biological and chemical properties, such as melting and boiling points, toxicity and resistance. Here we consider the…

Let $G = (V, E)$ be a graph. The first Zagreb index and the forgotten topological index of a graph $G$ are defined respectively as $\sum_{u \in V} d^2(u)$ and $\sum_{u \in V} d^3(u)$, where $d(u)$ is the degree of vertex $u$ in $G$. If the…

In a study on the structure--dependency of the total $\pi$-electron energy from 1972, Trinajsti\'c and one of the present authors have shown that it depends on the sums $\sum_{v\in V}d(v)^2$ and $\sum_{v\in V}d(v)^3$, where $d(v)$ is the…

A topological index reflects the physical, chemical and structural properties of a molecule, and its study has an important role in molecular topology, chemical graph theory and mathematical chemistry. It is a natural problem to…