相关论文: Note on PI and Szeged indices
Szeged, PI and Mostar indices are some of the most investigated distance-based molecular descriptors. Recently, many different variations of these topological indices appeared in the literature and sometimes they are all together called…
Topological indices are numerical invariants derived from molecular graphs and play an important role in characterizing chemical compounds and predicting their properties. Among the earliest descriptors are the classical Zagreb indices…
Topological indices are molecular descriptors that describe the properties of chemical compounds. These topological indices correlate specific physico-chemical properties like boiling point, enthalpy of vaporization, strain energy, and…
Topological indices are graph invariants numeric quantities, which are utilized by researchers to analyze a variety of physiochemical aspects of molecules. The goal of developing topological indices is to give each chemical structure a…
In this paper, we investigate the edge-Wiener index, the Szeged index, the edge-Szeged index, and the PI index, which are some of the most studied distance-based topological indices. As the main result we show that for benzenoid systems…
The wreath product of graphs is a graph composition inspired by the notion of wreath product of groups, with interesting connections with Geometric Group Theory and Probability. This paper is devoted to the description of some degree and…
The Szeged index of a graph is an invariant with several applications in chemistry. The power graph of a finite group $G$ is a graph having vertex set as $G$ in which two vertices $u$ and $v$ are adjacent if $v=u^m$ or $u=v^n$ for some…
In the last forty years, many scientists used graph theory to develop mathematical models for analyzing structures and properties of various chemical compounds. In this paper, we will establish formulas and bounds for generalized first…
Topological indices play an important role in mathematical chemistry especially in the quantitative structure-property relationship (QSPR) and quantitative structure-activity relationship (QSAR). Recent research indicates that the augmented…
A topological index is a real number which is derived from a network or a graph by mathematically that characterizes the whole of its structural properties. Recently, there are various topological indices that have been introduced in…
The vertex PI index is a distance--based molecular structure descriptor, that recently found numerous chemical applications. In order to increase diversity of this topological index for bipartite graphs, we introduce weighted version…
The weighted Szeged index and the weighted vertex-PI index of a connected graph $G$ are defined as $wSz(G) = \sum_{e=uv \in E(G)} (deg (u) + deg (v))n_u(e)n_v(e)$ and $wPI_v(G) = \sum_{e=uv \in E(G)} (deg(u) + deg(v))( n_u(e) + n_v(e))$,…
There are various topological indices such as degree based topological indices, distance based topological indices and counting related topological indices etc. These topological indices correlate certain physicochemical properties such as…
The edge Szeged index of a graph $G$ is defined as $Sz_{e}(G)=\sum\limits_{uv\in E(G)}m_{u}(uv|G)m_{v}(uv|G)$, where $m_{u}(uv|G)$ (resp., $m_{v}(uv|G)$) is the number of edges whose distance to vertex $u$ (resp., $v$) is smaller than the…
Chemical graphs are simple undirected connected graphs, where vertices represent atoms in a molecule and edges represent chemical bonds. A degree-based topological index is a molecular descriptor used to study specific physicochemical…
In chemical graph theory, topological indices are widely used as numerical descriptors for establishing quantitative structure-property relationships (QSPR) and quantitative structure-activity relationships (QSAR). These indices…
There is powerful relation between the chemical behaviour of chemical compounds and their molecular structures. Topological indices defined on these chemical molecular structures are capable to predict physical properties, chemical…
The concepts of geometric-arithmetic and harmonic indices were introduced in the area of chemical graph theory recently. They have proven to correlate well with physical and chemical properties of some molecules. The aim of this paper is to…
This work aims to assess the molecular architectures of anti-tuberculosis drugs using both degree-based topological indices and novel distance based indices. We can represent the chemical arrangement as a graph, with atoms serving as the…
The arithmetic-geometric index is a newly proposed degree-based graph invariant in mathematical chemistry. We give a sharp upper bound on the value of this invariant for connected chemical graphs of given order and size and characterize the…