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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…

Combinatorics · Mathematics 2016-05-09 Shaohui Wang , Jia-Bao Liu , Chunxiang Wang , Sakander Hayat

In this article, we investigate the Zagreb index, a kind of graph-based topological index, of several random networks, including a class of networks extended from random recursive trees, plain-oriented recursive trees, and random…

Probability · Mathematics 2019-01-16 Panpan Zhang

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…

Combinatorics · Mathematics 2018-05-15 Sourav Mondal , Nilanjan De , Anita Pal

The first Zagreb index of a graph $G$ is the sum of squares of the vertex degrees in a graph and the second Zagreb index of $G$ is the sum of products of degrees of adjacent vertices in $G$. The imbalance of an edge in $G$ is the numerical…

General Mathematics · Mathematics 2020-02-25 Sudev Naduvath , Johan Kok

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…

Combinatorics · Mathematics 2022-12-09 Sohan Lal , Karnika Sharma , Vijay Kumar Bhat

The F-index of a graph is defined as the sum of cubes of the vertex degrees of the graph. This was introduced in 1972, in the same paper where the first and second Zagreb indices were introduced to study the structure-dependency of total…

Combinatorics · Mathematics 2015-11-23 Nilanjan De , Sk. Md. Abu Nayeem , Anita Pal

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…

Chemical Physics · Physics 2026-05-04 Kinkar Chandra Das , Jayanta Bera

Let G be a simple connected molecular graph with vertex set $V(G)$ and edge set $E(G)$. One important modification of classical Zagreb index, called hyper Zagreb index $HM(G)$ is defined as the sum of squares of the degree sum of the…

Discrete Mathematics · Computer Science 2017-03-27 Nilanjan De

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…

Combinatorics · Mathematics 2016-07-26 Akbar Ali , Zahid Raza , Akhlaq Ahmad Bhatti

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…

Probability · Mathematics 2024-11-08 Sayle Sigarreta , Hugo Cruz-Suarez , Sergio Torralbas Fitz

The hyper Zagreb index is a kind of extensions of Zagreb index, used for predicting physicochemical properties of organic compounds. Given a graph $G= (V(G), E(G))$, the first hyper-Zagreb index is the sum of the square of edge degree over…

Combinatorics · Mathematics 2016-12-08 Shaohui Wang , Wei Gao , Muhammad K. Jamil , Mohammad R. Farahani , Jia-Bao Liu

In chemical graph theory, caterpillar trees have been an appealing model to represent the molecular structures of benzenoid hydrocarbon. Meanwhile, topological index has been thought of as a powerful tool for modeling quantitative…

Probability · Mathematics 2021-02-26 Panpan Zhang , Xiaojing Wang

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…

Combinatorics · Mathematics 2024-09-11 Sanju Vaidya , Jeff Chang

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…

Combinatorics · Mathematics 2020-04-08 Walter Carballosa , Ana Granados , Domingo Pestana , Ana Portilla , Jose María Sigarreta

Topological indices have important role in theoretical chemistry for QSPR researches. Among the all topological indices the Randi\'c and the Zagreb indices have been used more considerably than any other topological indices in chemical and…

Combinatorics · Mathematics 2017-01-12 Süleyman Ediz

The first Zagreb index of a graph $G$ is the sum of the square of every vertex degree, while the second Zagreb index is the sum of the product of vertex degrees of each edge over all edges. In our work, we solve an open question about…

Combinatorics · Mathematics 2017-09-07 Shengjin Ji , Shaohui Wang

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…

Combinatorics · Mathematics 2024-09-23 Rao Li

In theoretical chemistry molecular structure descriptors are used for modeling physico-chemical, pharmacological, toxicologic, biological and other properties of chemical compounds. In this paper we study distance-based graph invariants and…

Combinatorics · Mathematics 2011-03-15 Aleksandar Ili\' c

In chemical graph theory, a topological index is a numerical representation of a chemical network while a topological descriptor correlates certain physico-chemical characteristics of underlying chemical compounds besides its chemical…

Combinatorics · Mathematics 2019-04-25 Haidar Ali , Muhammad Ahsan Binyamin , Muhammad Kashif Shafiq

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…

Combinatorics · Mathematics 2021-02-15 Simon Brezovnik , Niko Tratnik
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