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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 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

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.

Continuing the recent work of L. Zhong and K. Xu [MATCH Commun. Math. Comput. Chem.71(2014) 627-642], we determine inequalities among several vertex-degree-based topological indices; first geometric-arithmetic index(GA), augmented Zagreb…

Combinatorics · Mathematics 2017-09-26 Akbar Ali , Akhlaq Ahmad Bhatti , Zahid Raza

Carbon nanotube Y-junctions are of great interest to the next generation of innovative multi-terminal nanodevices. Topological indices are graph-theoretically based parameters that describe various structural properties of a chemical…

Mesoscale and Nanoscale Physics · Physics 2023-01-06 Sohan Lal , Vijay Kumar Bhat , Sahil Sharma

The geometric--arithmetic indices are widely considered in the chemical graph theory in the last decade. The reason of introducing new indices is to gain prediction of target properties of considered molecules that is better than the…

Chemical Physics · Physics 2019-06-03 Matevž Črepnjak , Petra Žigert Pleteršek

The atom-bond connectivity (ABC) index is a degree-based topological index. It was introduced due to its applications in modeling the properties of certain molecular structures and has been since extensively studied. In this note, we…

Combinatorics · Mathematics 2016-08-26 Xiu-Mei Zhang , Yu Yang , Hua Wang , Xiao-Dong Zhang

Topological index is a numerical value associated with chemical constitution for correlation of chemical structure with various physical properties, chemical reactivity or biological activity. In this work, some new indices based on…

Discrete Mathematics · Computer Science 2019-06-18 Sourav Mondal , Nilanjan De , Anita Pal

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

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…

Chemical Physics · Physics 2025-11-05 U. Vijaya Chandra Kumar , H. M. Nagesh , Narahari N

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

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

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

We consider topological indices I that are sums of f(deg(u)) f(deg(v)), where {u,v} are adjacent vertices and f is a function. The Randi{\'c} connectivity index or the Zagreb group index are examples for indices of this kind. In earlier…

Combinatorics · Mathematics 2007-05-23 Boris Hollas

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

The numerical values extracted from a graph that indicates its topology are called topological indices. A contemporary and efficient method is to compute a graph's topological indices using the graph polynomial that corresponds to it. This…

Discrete Mathematics · Computer Science 2026-02-18 Jayjit Barman , Shibsankar Das

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

Let $G$ be a connected graph with $n$ vertices and $m$ edges. The vertex-degree-based topological index (VDB) (or graphical function-index) $TI(G)$ of $G$ with edge-weight function $I(x,y)$ is defined as $$TI(G)=\sum\limits_{uv\in…

General Mathematics · Mathematics 2023-04-25 Hechao Liu , Zenan Du , Yufei Huang , Hanlin Chen , Suresh Elumalai

The first geometric-arithmetic (GA) index and atom-bond connectivity (ABC) index are molecular structure descriptors which play a significant role in quantitative structure-property relationship (QSPR) and quantitative structure-activity…

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