M-Polynomial and Degree Based Topological Indices of Some Nanostructures

Raza, Zahid; Sukaiti, Mark Essa K.

doi:10.3390/sym12050831

Cited by 49 publications

(23 citation statements)

References 14 publications

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“…So the numerical and graphical representation of these calculated results are helpful to scientist see details in Refs. [45,46]. So in this section, we have computed numerically all degree-based entropies for different values of n for HCQ À HES½n: In addition, we construct Tables 3-7 for small values of n for degree-based entropy to numerical comparison for the structure of HCQ À HES½n: Now, from Tables 3-7, we can easily see that all the values of entropy are in increasing order as the values of n are increases.…”

Section: Comparisons and Discussionmentioning

confidence: 99%

On Entropy Measures of Polycyclic Hydroxychloroquine Used for Novel Coronavirus (COVID-19) Treatment

Manzoor

Siddiqui

Ahmad

2020

Polycyclic Aromatic Compounds

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The molecular structure of hydroxychloroquine (HCQ) used in the treatment of malaria is recently suggested for emergency used in COVID-19. The chemical compound of HCQ is produced by chemical alteration of ethylene oxide from human products, such as waxy maize starch. The molecular graph is a graph comprising of atoms called vertices and the chemical bond between molecules is called edges. A topological index is a numerical representation of a chemical structure which correlates certain physico-chemical characteristics of underlying chemical compounds besides its numerical representation. To distinguish the creation of entropy-based measures from the structure of chemical graphs, several graph properties have been utilized. For computing the structural information of chemical graphs, the graph entropies have become the information-theoretic quantities. The graph entropy measure has attracted the research community due to its potential application in discrete mathematics, biology, and chemistry. In this paper, our contribution is to explore graph entropies for molecular structure of HCQ based on novel information function, which is the number of different degree vertices along with the number of edges between various degree vertices. More precisely, we have explored the degree-based topological characteristics of hydroxyethyl starch conjugated with hydroxychloroquine (HCQ-HEC). Also, we computed entropies of this structure by making a relation of degree-based topological indices with the help of information function. Moreover, we presented the numerical and graphical comparison of the computed results.

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Section: Comparisons and Discussionmentioning

confidence: 99%

On Entropy Measures of Polycyclic Hydroxychloroquine Used for Novel Coronavirus (COVID-19) Treatment

Manzoor

Siddiqui

Ahmad

2020

Polycyclic Aromatic Compounds

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“…Munir et al [ 52 ] evaluated degree-based indices of titania nanotube from M-polynomial. Recently, M-polynomials of some nano-structures and zigzag edge coronoid fused by starphene are derived in [ 2 , 57 ]. Topological descriptors for the crystal structure of titanium difluoride are obtained in [ 34 ].…”

Section: Introductionmentioning

confidence: 99%

Neighborhood degree sum-based molecular descriptors of fractal and Cayley tree dendrimers

Mondal

De²,

Pal

2021

Eur. Phys. J. Plus

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Topological index is a connection between the chemical structure and the real number that remains invariant under graph isomorphism. In structure–property and structure–activity modeling, topological indices are considered as essential molecular descriptors to predict different physicochemical properties of molecule. Dendrimers are considered to be the most significant, commercially accessible basic components in nanotechnology. In this report, some neighborhood degree sum-based molecular descriptors are obtained for the fractal tree and the Cayley tree dendrimers. Neighborhood M-polynomial yields a family of topological indices for a molecular graph in less time compared to the usual computation from their definitions. Some indices are obtained using neighborhood M-polynomial approach. In addition, some multiplicative neighborhood degree sum-based molecular descriptors are evaluated for fractal and Cayley tree dendrimers. The graphical representations of the outcomes are presented. A comparative study of the findings with some well-known degree-based indices is performed. Usefulness of the descriptors in modeling different properties and activities is discussed.

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“…Graph theory has been heavily utilized in chemistry. In particular, chemical graph theory is the topology branch of mathematical chemistry that implements graph theory to mathematical modeling of chemical occurrence [3][4][5]. is theory contributes a major role in the domain of chemical sciences.…”

Section: Introductionmentioning

confidence: 99%

A Study of Hexagon Star Network with Vertex‐Edge‐Based Topological Descriptors

Refaee

Ahmad

2021

Complexity

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There are many network topology designs that have emerged to fulfill the growing need for networks to provide a robust platform for a wide range of applications like running businesses and managing emergencies. Amongst the most famous network topology designs are star network, mesh network, hexagonal network, honeycomb network, etc. In a star network, a central computer is linked with various terminals and other computers over point-to-point lines. The other computers and terminals are directly connected to the central computer but not to one another. As such, any failure in the central computer will result in a failure of the entire network and computers in star network will not be able to communicate. The star topology design can be represented by a graph where vertices represent the computer nodes and edges represent the links between the computer nodes. In this paper, we study the vertex-edge-based topological descriptor for a newly designed hexagon star network.

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M-Polynomial and Degree Based Topological Indices of Some Nanostructures

Cited by 49 publications

References 14 publications

On Entropy Measures of Polycyclic Hydroxychloroquine Used for Novel Coronavirus (COVID-19) Treatment

On Entropy Measures of Polycyclic Hydroxychloroquine Used for Novel Coronavirus (COVID-19) Treatment

Neighborhood degree sum-based molecular descriptors of fractal and Cayley tree dendrimers

A Study of Hexagon Star Network with Vertex‐Edge‐Based Topological Descriptors

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