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We present the graph-based molecule software Molassembler for building organic and inorganic molecules. Molassembler provides algorithms for the construction of molecules built from any set of elements from the periodic table. In…

Chemical Physics · Physics 2022-05-12 Jan-Grimo Sobez , Markus Reiher

The complementary second Zagreb index of a graph $G$ is defined as $cM_2(G)=\sum_{uv\in E(G)}|(d_u(G))^2-(d_v(G))^2|$, where $d_u(G)$ denotes the degree of a vertex $u$ in $G$ and $E(G)$ represents the edge set of $G$. Let $G^*$ be a graph…

Combinatorics · Mathematics 2025-01-03 Hicham Saber , Tariq Alraqad , Akbar Ali , Abdulaziz M. Alanazi , Zahid Raza

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

Due to the advent of the expressions of data other than tabular formats, the topological compositions which make samples interrelated came into prominence. Analogically, those networks can be interpreted as social connections, dataflow…

Social and Information Networks · Computer Science 2023-01-27 Hacı İsmail Aslan , Chang Choi , Hoon Ko

The Wiener index is defined as the sum of distances between all unordered pairs of vertices in a graph. It is one of the most recognized and well-researched topological indices, which is on the other hand still a very active area of…

Combinatorics · Mathematics 2023-03-22 Martin Knor , Riste Škrekovski , Aleksandra Tepeh

We perform factor analysis on the raw data of the four major neighborhood and shortest paths-based centrality metrics (Degree, Eigenvector, Betweeenness and Closeness) and propose a novel quantitative measure called the…

Social and Information Networks · Computer Science 2023-10-11 Natarajan Meghanathan

The authors Mili$\breve{c}$evi$\acute{c}$ et al. introduced the reformulated Zagreb indices, which is a generalization of classical Zagreb indices of chemical graph theory. In the paper, we characterize the extremal properties of the first…

Combinatorics · Mathematics 2014-06-30 Shengjin Ji , Xia Li , Yongke Qu

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

This paper introduces the concept of $\mu$-signed and duplication signed graphs and shows that both are always structurally balanced. Using the duplication signed graph, we define the corona product of the duplication signed graph…

Combinatorics · Mathematics 2025-10-31 Bishal Sonar , Ravi Srivastava

We put forward the concept of measure graphs. These are (possibly uncountable) graphs equipped with an action of a groupoid and a measure invariant under this action. Examples include finite graphs, periodic graphs, graphings and…

Metric Geometry · Mathematics 2018-01-10 Daniel Lenz , Felix Pogorzelski , Marcel Schmidt

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…

Combinatorics · Mathematics 2018-03-14 Akbar Ali , Darko Dimitrov

The Steiner distance in a graph, introduced by Chartrand et al. in 1989, is a natural generalization of the concept of classical graph distance. For a connected graph $G$ of order at least 2 and $S\subseteq V(G)$, the Steiner distance…

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…

Combinatorics · Mathematics 2019-10-24 Haidar Ali , Farzana Kousar

There has been substantial interest in estimating the value of a graph parameter, i.e., of a real-valued function defined on the set of finite graphs, by querying a randomly sampled substructure whose size is independent of the size of the…

Combinatorics · Mathematics 2020-08-12 Carlos Hoppen , Yoshiharu Kohayakawa , Richard Lang , Hanno Lefmann , Henrique Stagni

Core-periphery detection is a key task in exploratory network analysis where one aims to find a core, a set of nodes well-connected internally and with the periphery, and a periphery, a set of nodes connected only (or mostly) with the core.…

Social and Information Networks · Computer Science 2022-02-28 Francesco Tudisco , Desmond J. Higham

Harmonic centrality calculates the importance of a node in a network by adding the inverse of the geodesic distances of this node to all the other nodes. Harmonic centralization, on the other hand, is the graph-level centrality score based…

Combinatorics · Mathematics 2022-05-10 Jose Mari E. Ortega , Rolito G. Eballe

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

The problem of injective coloring in graphs can be revisited through two different approaches: coloring the two-step graphs and vertex partitioning of graphs into open packing sets, each of which is equivalent to the injective coloring…

Combinatorics · Mathematics 2024-06-07 Babak Samadi , Nasrin Soltankhah , Ismael G. Yero

In this paper, we find some bounds for the Sombor index of the graph G by triangle inequality, arithmetic index, geometric index, forgotten index (F(G)), arithmetic-geometric (AG) index, geometric-arithmetic (GA) index, symmetric division…

Combinatorics · Mathematics 2024-09-12 Maryam Mohammadi , Hasan Barzegar

Betweenness centrality is a widely-used measure in the analysis of large complex networks. It measures the potential or power of a vertex to control the communication over the network under the assumption that information primarily flows…

Combinatorics · Mathematics 2016-03-15 Sunil Kumar R , Kannan Balakrishnan