Molecular descriptors of benzenoid systems

Idrees, Nazeran; Hussain, Fida; Sadiq, Afshan; Siddiqui, Muhammad Kamran

doi:10.21577/0100-4042.20160173

Cited by 13 publications

(13 citation statements)

References 3 publications

(8 reference statements)

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“…Let G be the graph of FCC(n). Now, using Table 1 and Equations (9) and (10), the Zagreb polynomials are computed as below:…”

Section: Resultsmentioning

confidence: 99%

“…As a result, it was recently noted that topological indices are utilized for bringing together QSAR models with numerous objectives, such as for DNA examination, to consider protein successions, for 2D RNA structures, to examine sedate-protein or medication-RNA quantitative structure-restricting relationships (QSBR), to encode protein surface data, and for protein association systems (PINs) [7][8][9].…”

Section: Introductionmentioning

confidence: 99%

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On Molecular Descriptors of Face-Centered Cubic Lattice

et al. 2019

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Face-centered cubic lattice F C C ( n ) has received extensive consideration as of late, inferable from its recognized properties and non-poisonous nature, minimal effort, plenitude, and basic creation process. The graph of a face-centered cubic cross-section contains cube points and face centres. A topological index of a molecular graph G is a numeric amount identified with G, which depicts its topological properties. In this paper, using graph theory tools, we computed the molecular descriptors (topological indices)—to be specific, Zagreb-type indices, a forgotten index, a Balaban index, the fourth version of an atom–bond connectivity index, and the fifth version of a geometric arithmetic index for face-centered cubic lattice F C C ( n ) .

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“…Let G be the graph of FCC(n). Now, using Table 1 and Equations (9) and (10), the Zagreb polynomials are computed as below:…”

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

On Molecular Descriptors of Face-Centered Cubic Lattice

et al. 2019

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“…It helps to gather huge data in the form of numerical values associated to chemical structures and get their comparisons using modern computer systems [11]. During the last decade of nineteenth century many topological descriptors have been introduced to fulfil the requirements of the chemists [12,13].…”

Section: Introductionmentioning

confidence: 99%

Topological Descriptor of 2-Dimensional Silicon Carbons and Their Applications

Nadeem¹,

Ahmad

Siddiqui

et al. 2019

Open Chemistry

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The Chemical graph theory is extensively used in finding the atomic supplementary properties of different chemical stuructures. Many results of graph theory are commonly used in molecular structures and in general in Chemisty. In a molcular graph vertices are atoms while chemical bonds are given by edges. This article is about computing the exact values for some degree based toplogical descriptors of two molecular structures. Namely we work on the silicon-carbon Si2C3- III and SiC3-III for dimension two. We also discuss some applications of these results towards Chemistry.

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“…This topological index is used as a mathematical model to predict biological activities of diverse nature [11,12]. For more mathematical properties of this index, we encourage the reader to refer to [13][14][15][16]." In 2012, Ghorbani and Hosseinzadeh [17] defined new versions of eccentric Zagreb indices, one of which is as follows:"…”

Section: Introductionmentioning

confidence: 99%

Computing Eccentricity Based Topological Indices of Octagonal Grid O n m

et al. 2018

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Graph theory is successfully applied in developing a relationship between chemical structure and biological activity. The relationship of two graph invariants, the eccentric connectivity index and the eccentric Zagreb index are investigated with regard to anti-inflammatory activity, for a dataset consisting of 76 pyrazole carboxylic acid hydrazide analogs. The eccentricity ε v of vertex v in a graph G is the distance between v and the vertex furthermost from v in a graph G. The distance between two vertices is the length of a shortest path between those vertices in a graph G. In this paper, we consider the Octagonal Grid O n m . We compute Connective Eccentric index C ξ ( G ) = ∑ v ∈ V ( G ) d v / ε v , Eccentric Connective Index ξ ( G ) = ∑ v ∈ V ( G ) d v ε v and eccentric Zagreb index of Octagonal Grid O n m , where d v represents the degree of the vertex v in G.

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Molecular descriptors of benzenoid systems

Cited by 13 publications

References 3 publications

On Molecular Descriptors of Face-Centered Cubic Lattice

On Molecular Descriptors of Face-Centered Cubic Lattice

Topological Descriptor of 2-Dimensional Silicon Carbons and Their Applications

Computing Eccentricity Based Topological Indices of Octagonal Grid O n m

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