Szeged-type indices of subdivision vertex-edge join (SVE-join)

Asghar, Syed Sheraz; Binyamin, Muhammad Ahsan; Chu, Yu‐Ming; Akhtar, Shehnaz; Malik, M. Afzaal

doi:10.1515/mgmc-2021-0011

Cited by 8 publications

(2 citation statements)

References 29 publications

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“…They have also found application in various areas of chemistry, informatics, biology, etc. [15][16][17][18][19][20][21][22].…”

Section: Introductionmentioning

confidence: 99%

Computation of Structural Descriptors of Pyrene Cored Dendrimers through Quotient Graph Approach and Its Graph Entropy Measures

Xavier,

Baby,

Alsinai

et al. 2024

Journal of Nanomaterials

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Dendrimers are highly defined hyperbranched artificial macromolecules, synthesised by convergent or divergent approach with specific applications in various fields. Dendrimers can be represented as graph models, from which a quantitative description can be drawn in relation with their structural properties. The distance-based and the degree-based descriptors have great importance and huge applications in structural chemistry. These indices together with entropy measures are found to be more effective and have found application in scientific fields. The idea of graph entropy is to characterise the complexity of graphs. The use of these graph invariants in quantitative structure property relationship and quantitative structure activity relationship studies has become of major interest in recent years. In this paper, the distance-based molecular descriptors of pyrene cored dendrimers are studied applying the technique of converting original graph into quotient graphs using Θ∗-classes. It is to be noted that, since the pyrene cored dendrimer, Gn is not a partial cube, usual cut method is not applicable. Further, various degree-based descriptors and their corresponding graph entropies of the pyrene cored dendrimers are also studied. Based on the obtained results, a comparative analysis as well as a regression analysis was carried out.

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“…They have also found application in various areas of chemistry, informatics, biology, etc. [15][16][17][18][19][20][21][22].…”

Section: Introductionmentioning

confidence: 99%

Computation of Structural Descriptors of Pyrene Cored Dendrimers through Quotient Graph Approach and Its Graph Entropy Measures

Xavier,

Baby,

Alsinai

et al. 2024

Journal of Nanomaterials

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“…They exhibit promising predictive capabilities for properties such as "vaporization enthalpy and entropy in alkenes." [10][11][12].…”

Section: Introductionmentioning

confidence: 99%

Mathematical Predicted Values Based on Sombor Descriptors for Cyclooctane Chains

Ahmad,

Malik,

Imran

et al. 2024

J. Soft. Comput. Decis. Anal.

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Cyclooctane group is a significant kind of cycloalkane in the field of computing chemistry. These compounds are considered macro cyclic aromatic hydrocarbons. The intriguing properties and conformational behaviors of Cyclooctane have led to their extensive utilization across various uses in both the alchemical and organic production. In our research, we explore the constructional attributes of Cyclooctane group by examining their primary graph framework. We take into account the unsystematically group with various possibilities and proceed to calculate the mathematical expectation structural value of a particular structure specific to Cyclooctane. These descriptors are derived from a partition based on atom degrees and a more detailed partition called sum-degree partition. Furthermore, we conduct a comparative analysis encompassing various descriptors that are a part of our study. Additionally, we highlight distinctive categories of Cyclooctane chains that exhibit specific values within these descriptors.

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Wiener polarity and similar topological descriptors of some product graphs

Haoer

2021

Int J of Quantum Chemistry

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The leap Zagreb and Wiener polarity indices are computed from the information of second and third distances in a graph. Like many other topological indices defined in the literature, these indices are important for their applications in quantitative structure‐property relationship studies. In this paper, we compute these indices of a graph product known as subdivision vertex‐edge join of three graphs, which is also known as SVE‐join of graphs. We also compute the leap Zagreb coindices of these graphs.

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Szeged-type indices of subdivision vertex-edge join (SVE-join)

Cited by 8 publications

References 29 publications

Computation of Structural Descriptors of Pyrene Cored Dendrimers through Quotient Graph Approach and Its Graph Entropy Measures

Computation of Structural Descriptors of Pyrene Cored Dendrimers through Quotient Graph Approach and Its Graph Entropy Measures

Mathematical Predicted Values Based on Sombor Descriptors for Cyclooctane Chains

Wiener polarity and similar topological descriptors of some product graphs

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