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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…

Combinatorics · Mathematics 2022-10-05 Haritha T , Chithra A. V.

The generalized hierarchical product of graphs was introduced by L. Barri\'ere et al in 2009. In this paper, reformulated first Zagreb index of generalized hierarchical product of two connected graphs and hence as a special case cluster…

Discrete Mathematics · Computer Science 2017-04-20 Nilanjan De

The aim of this paper is to obtain new inequalities for a large family of topological indices restricted to unicyclic graphs and to characterize the set of extremal unicyclic graphs with respect to them. This family includes variable first…

Combinatorics · Mathematics 2021-03-16 Álvaro Martínez-Pérez , José M. Rodríguez

In this paper, we investigate The relationship between the Albertson index and the first Zagreb index for trees. For a tree $T=(V,E)$ with $n=|V|$ vertices and $m=|E|$ edges, we provide several bounds and exact formulas for these two…

Combinatorics · Mathematics 2025-06-03 Jasem Hamoud , Alexei Belov-Kanel , Duaa Abdullah

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,…

Discrete Mathematics · Computer Science 2018-04-26 Raghisa Khalid , Nazeran Idrees

The atom-bond connectivity (ABC) index is a degree-based molecular structure descriptor that can be used for modelling thermodynamic properties of organic chemical compounds. Motivated by its applicable potential, a series of investigations…

Combinatorics · Mathematics 2016-10-11 Darko Dimitrov , Barbara Ikica , Riste Škrekovski

For a simple graph $G$ with $n$ vertices and $m$ edges, the first Zagreb index and the second Zagreb index are defined as $M_1(G)=\sum_{v\in V}d(v)^2 $ and $M_2(G)=\sum_{uv\in E}d(u)d(v)$. In \cite{VGFAD}, it was shown that if a connected…

Discrete Mathematics · Computer Science 2015-03-19 Hosam Abdo , Darko Dimitrov , Ivan Gutman

In this paper, four novel topological indices named as neighbourhood version of forgotten topological index (F_N), modified neighbourhood version of Forgotten topological index ($F_N^*$), neighbourhood version of second Zagreb index…

Chemical Physics · Physics 2019-06-27 Sourav Mondal , Nilanjan De , Anita Pal

This paper presents new lower bounds for the first general Zagreb index $Z_{\alpha}(G)$ involving two, three, and four arbitrary degrees of vertices of a simple graph $G$. For the special cases $\alpha = 2$ and $\alpha = -2$, the results…

Combinatorics · Mathematics 2025-08-21 Mamta Verma , Ravinder Kumar

To avoid extensive lab work on properties of chemical compounds, QSPR/QSAR analysis for topological descriptors is a productive statistical approach to analyze various physicochemical properties of chemical compounds. Many researchers have…

Chemical Physics · Physics 2023-05-23 A. Bharali , Mohammad Essa Nazari , Amanullah Nabavi

Let $G=(V,E)$ be a simple graph with $n = |V|$ vertices and $m = |E|$ edges. The first and second Zagreb indices are among the oldest and the most famous topological indices, defined as $M_1 = \sum_{i \in V} d_i^2$ and $M_2 = \sum_{(i, j)…

Combinatorics · Mathematics 2011-04-22 Aleksandar Ilić , Dragan Stevanović

Establishing quantitative correlations between various molecular properties and chemical structures is of great technological importance for environmental and medical aspects. These approaches are referred to as Quantitative…

Materials Science · Physics 2024-04-16 H. M. Nagesh

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…

Combinatorics · Mathematics 2015-03-27 Monica Bianchi , Alessandra Cornaro , José Luis Palacios , Anna Torriero

In this paper we give new bounds for a several vertex-based and edge-based topological indices of graphs: Albertson irregularity index, degree variance index, Mostar and the first Zagreb index. Moreover, we give a new upper bound for the…

Combinatorics · Mathematics 2022-10-25 Arber Avdullahu , Slobodan Filipovski

A simple connected graph G is called a p-quasi k-cyclic graph, if there exists a subset S of vertices such that |S|=p, G-S is k-cyclic and there is no a subset S` of V(G) such that |S`|<|S| and G-S` is k-cyclic. The aim of this paper is to…

Combinatorics · Mathematics 2019-10-08 A Ghalavand , A R Ashrafi

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…

Combinatorics · Mathematics 2017-03-17 Alvaro Martínez-Pérez , José M. Rodríjuez , José M. Sigarreta

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…

Biomolecules · Quantitative Biology 2024-11-06 D. C. Gunawardhana , G. H. J. Lanel , K. K. K. R. Perera , A. G. M. J. Gunaratna

The first multiplicative Zagreb index of a graph $G$ is the product of the square of every vertex degree, while the second multiplicative Zagreb index is the product of the products of degrees of pairs of adjacent vertices. In this paper,…

Combinatorics · Mathematics 2017-04-21 Shaohui Wang , Chunxiang Wang , Lin Chen , Jia-Bao Liu

For a graph $G$, the first multiplicative Zagreb index $\prod_1$ is equal to the product of squares of the vertex degrees, and the second multiplicative Zagreb index $\prod_2$ is equal to the product of the products of degrees of pairs of…

Combinatorics · Mathematics 2016-11-21 Shaohui Wang , Chunxiang Wang , Jia-Bao Liu

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…