Results 41 to 50 of about 18,171 (291)

Vertex-Based Topological Indices of Double and Strong Double Graph of Dutch Windmill Graph

Journal of Chemistry, 2021
A measurement of the molecular topology of graphs is known as a topological index, and several physical and chemical properties such as heat formation, boiling point, vaporization, enthalpy, and entropy are used to characterize them.
Muhammad Asad Ali, Muhammad Shoaib Sardar, Imran Siddique, Dalal Alrowaili   +3 more
doaj   +1 more source

Some bounds on the modified Randic index [PDF]

Kragujevac Journal of Science, 2015
In this paper, we present some new lower and upper bounds for the modified Randic index in terms of maximum, minimum degree, girth, algebraic connectivity, diameter and average distance.
Mahsa Hemmasi, Ali Iranmanesh
doaj   +1 more source

Minimum atom-bond sum-connectivity index of unicyclic graphs with maximum degree [PDF]

Discrete Mathematics Letters
Palaniyappan Nithya, , Suresh Elumalai, Selvaraj Balachandran   +2 more
doaj   +2 more sources

Topological aspects of some dendrimer structures

Nanotechnology Reviews, 2018
A numerical number associated to the molecular graph G that describes its molecular topology is called topological index. In the study of QSAR and QSPR, topological indices such as atom-bond connectivity index, Randić connectivity index, geometric index,
Aslam Adnan, Jamil Muhammad Kamran, Gao Wei, Nazeer Waqas   +3 more
doaj   +1 more source

Computing three topological indices for Titania nanotubes TiO2[m,n]

AKCE International Journal of Graphs and Combinatorics, 2016
A numeric quantity which characterizes the whole structure of a graph is called a topological index. The concept of Generalized Zagreb, atom–bond connectivity (ABC) and geometric–arithmetic (GA) topological indices was established in chemical graph ...
Jia-Bao Liu, Wei Gao, Muhammad Kamran Siddiqui, Muhammad Reza Farahani   +3 more
doaj   +1 more source

Topological Indices of Families of Bistar and Corona Product of Graphs

Journal of Mathematics, 2022
Topological indices are graph invariants that are used to correlate the physicochemical properties of a chemical compound with its (molecular) graph. In this study, we study certain degree-based topological indices such as Randić index, Zagreb indices ...
A. Khalid, N. Kausar, M. Munir, M. Gulistan, M. M. Al-Shamiri, T. Lamoudan   +5 more
doaj   +1 more source

On Multiplicative Topological Invariants of Magnesium Iodide Structure

Journal of Mathematics, 2022
In recent times, the applications of graph theory in molecular and chemical structure research have far exceeded human expectations and have grown exponentially.
Zhiqiang Zhang, Haidar Ali, Asim Naseem, Usman Babar, Xiujun Zhang, Parvez Ali   +5 more
doaj   +1 more source

Adapting the Interrelated Two-way Clustering method for Quantitative Structure-Activity Relationship (QSAR) Modeling of a Diverse Set of Chemical Compounds

, 2013
Interrelated Two-way Clustering (ITC) is an unsupervised clustering method developed to divide samples into two groups in gene expression data obtained through microarrays, selecting important genes simultaneously in the process.
Basak, Subhash C., Grunwald, Gregory D., Majumdar, Subhabrata   +2 more
core   +1 more source

Relating the ABC and harmonic indices [PDF]

Journal of the Serbian Chemical Society, 2014
The atom-bond connectivity (ABC) index is a much-studied molecular structure descriptor, based on the degrees of the vertices of the molecular graph.
Gutman Ivan, Zhong Lingping, Xu Kexiang
doaj   +1 more source

Performance of 3D-space-based atoms-in-molecules methods for electronic delocalization aromaticity indices [PDF]

, 2010
Several definitions of an atom in a molecule (AIM) in three-dimensional (3D) space, including both fuzzy and disjoint domains, are used to calculate electron sharing indices (ESI) and related electronic aromaticity measures, namely, Iringand multicenter ...
Bultinck, Patrick, Heyndrickx, Wouter, Matito, Eduard, Salvador, Pedro, Sola, Miquel   +4 more
core   +1 more source