On Distance-Based Topological Descriptors of Chemical Interconnection Networks

Hu, Min; Ali, Haidar; Binyamin, Muhammad Ahsan; Ali, Bilal; Liu, Jia‐Bao; Fan, Chengmei

doi:10.1155/2021/5520619

Cited by 28 publications

(20 citation statements)

References 19 publications

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“…We research different indices on different kinds of planar octahedron networks. Nowadays, extensive research studies are being conducted in the field of chemical graph theory for further studying topological indices of various graphs [6][7][8][9][10][11][12][13]. For the basic notations and definitions, see [14,15].…”

Section: Resultsmentioning

confidence: 99%

On Computation Degree-Based Topological Descriptors for Planar Octahedron Networks

Wang¹,

Ali

et al. 2021

Journal of Mathematics

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A molecular graph is used to represent a chemical molecule in chemical graph theory, which is a branch of graph theory. A graph is considered to be linked if there is at least one link between its vertices. A topological index is a number that describes a graph’s topology. Cheminformatics is a relatively young discipline that brings together the field of sciences. Cheminformatics helps in establishing QSAR and QSPR models to find the characteristics of the chemical compound. We compute the first and second modified K-Banhatti indices, harmonic K-Banhatti index, symmetric division index, augmented Zagreb index, and inverse sum index and also provide the numerical results.

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Section: Resultsmentioning

confidence: 99%

On Computation Degree-Based Topological Descriptors for Planar Octahedron Networks

Wang¹,

Ali

et al. 2021

Journal of Mathematics

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“…Next, we find the number of edges with CNs (9, 12). We can see that only the free edges have CNs (9,12). e total number of free edges is 8􏽐 j−2 k�0 (2 3 − 1) k .…”

Section: Complexitymentioning

confidence: 96%

“…Following that, researchers investigated a variety of distancebased descriptors in chemical fields which helped them to interpret the chemical molecular information of chemical structures such as freezing and melting point, flammability, stability, and density. For more information, see [9,10]. Gutman and Trinajstic [11] examined the new notion of the first ZI in 1975.…”

Section: Introductionmentioning

confidence: 99%

Topological Aspects of Molecular Networks: Crystal Cubic Carbons

Javaid

Sattar

Bonyah³

2022

Complexity

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Theory of networks serves as a mathematical foundation for the construction and modeling of chemical structures and complicated networks. In particular, chemical networking theory has a wide range of utilizations in the study of chemical structures, where examination and manipulation of chemical structural information are made feasible by utilizing the numerical graph invariants. A network invariant or a topological index (TI) is a numerical measure of a chemical compound which is capable to describe the chemical structural properties such as melting point, freezing point, density, pressure, tension, and temperature of chemical compounds. Wiener initiated the first distance-based TI which is considered to be the most important TI to preserve the chemical and physical properties of chemical structures. Later on, degree-based TI was introduced to find the π -electron energy of molecules. Recently, connection number-based TIs are studied which are more efficient than degree and distance-based TIs. In this paper, we compute the connection number-based TIs of the structure of crystal cubic carbons which are one of the most significant and interesting composites in modern resources of science due to the involvement of carbon atoms.

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“…These are unique numbers expressed by diverse representations including vertex degree or distance between vertices [7,8]. The distance based topological indices are utilized in the improvement of QSAR and QSPR where physiochemical properties of compounds are associated with their molecular graph [9,10]. QSAR models give mathematical relationship between the descriptors and biological activities of ligands [11][12][13].…”

Section: Introductionmentioning

confidence: 99%

On Hosoya Polynomial and Subsequent Indices of C4C8(R) and C4C8(S) Nanosheets

et al. 2022

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Chemical structures are mathematically modeled using chemical graphs. The graph invariants including algebraic polynomials and topological indices are related to the topological structure of molecules. Hosoya polynomial is a distance based algebraic polynomial and is a closed form of several distance based topological indices. This article is devoted to compute the Hosoya polynomial of two different atomic configurations (C4C8(R) and C4C8(S)) of C4C8 Carbon Nanosheets. Carbon nanosheets are the most stable, flexible structure of uniform thickness and admit a vast range of applications. The Hosoya polynomial is used to calculate distance based topological indices including Wiener, hyper Wiener and Tratch–Stankevitch–Zafirov Indices. These indices play their part in determining quantitative structure property relationship (QSPR) and quantitative structure activity relationship (QSAR) of chemical structures. The three dimensional presentation of Hosoya polynomial and related distance based indices leads to the result that though the chemical formula for both the sheets is same, yet they possess different Hosoya Polynomials presenting distinct QSPR and QSAR corresponding to their atomic configuration.

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On Distance-Based Topological Descriptors of Chemical Interconnection Networks

Cited by 28 publications

References 19 publications

On Computation Degree-Based Topological Descriptors for Planar Octahedron Networks

On Computation Degree-Based Topological Descriptors for Planar Octahedron Networks

Topological Aspects of Molecular Networks: Crystal Cubic Carbons

On Hosoya Polynomial and Subsequent Indices of C4C8(R) and C4C8(S) Nanosheets

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