On Eccentricity-Based Topological Indices Study of a Class of Porphyrin-Cored Dendrimers

Gao, Wei; Iqbal, Zahid; Ishaq, Muhammad; Sarfraz, Rabia; Aamir, Muhammad; Aslam, Adnan

doi:10.3390/biom8030071

Cited by 28 publications

(21 citation statements)

References 34 publications

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“…where d( f ) represents the degree of an edge and ε( f ) is defined as the largest distance of f with any other edge g in G. This index has been computed for different dendrimer structures in [39][40][41][42]. TIs are descriptors based upon the structure of a compound which brief facts about shape, branching, molecular size, presence of multiple bonds and heteroatoms in the numerical form [1].…”

Section: Methodsmentioning

confidence: 99%

Some Eccentricity-Based Topological Indices and Polynomials of Poly(EThyleneAmidoAmine) (PETAA) Dendrimers

et al. 2019

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Topological indices have been computed for various molecular structures over many years. These are numerical invariants associated with molecular structures and are helpful in featuring many properties. Among these molecular descriptors, the eccentricity connectivity index has a dynamic role due to its ability of estimating pharmaceutical properties. In this article, eccentric connectivity, total eccentricity connectivity, augmented eccentric connectivity, first Zagreb eccentricity, modified eccentric connectivity, second Zagreb eccentricity, and the edge version of eccentric connectivity indices, are computed for the molecular graph of a PolyEThyleneAmidoAmine (PETAA) dendrimer. Moreover, the explicit representations of the polynomials associated with some of these indices are also computed.

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Section: Methodsmentioning

confidence: 99%

Some Eccentricity-Based Topological Indices and Polynomials of Poly(EThyleneAmidoAmine) (PETAA) Dendrimers

et al. 2019

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“…Vestberg et al [45] specified the characterization and synthesis of Porphyrin-cored 2,2-bis(methylol) Propionic acid dendrimers. Some distance-based topological indices of this dendrimer have been computed in [46]. Let D 2 (n) be the molecular graph of this dendrimers, where n represents the generation stage of D 2 (n).…”

Section: Porphyrin-cored Dendrimermentioning

confidence: 99%

On Irregularity Measures of Some Dendrimers Structures

et al. 2019

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A graph is said to be a regular graph if all its vertices have the same degree, otherwise, it is irregular. Irregularity indices are usually used for quantitative characterization of the topological structure of non-regular graphs. In numerous applications and problems in material engineering and chemistry, it is useful to be aware that how irregular a molecular structure is? Furthermore, evaluations of the irregularity of underline molecular graphs could be valuable for QSAR/QSPR studies, and for the expressive determines of chemical and physical properties, such as enthalpy of vaporization, toxicity, resistance, Entropy, melting and boiling points. In this paper, we think over the following four irregularity measures: the irregularity index by Albertson, σ irregularity index, the total irregularity index and the variance of vertex degrees. By way of graph structural estimation and derivations, we determine these irregularity measures of the molecular graphs of different classes of dendrimers.

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“…For a comprehensive study of different types of topological indices, see [17][18][19][20]24,31,33,36,58,59] and references therein. Throughout this article, all graphs are finite, undirected, and simple.…”

Section: Introductionmentioning

confidence: 99%

The measure of irregularities of nanosheets

et al. 2020

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Nanosheets are two-dimensional polymeric materials, which are among the most active areas of investigation of chemistry and physics. Many diverse physicochemical properties of compounds are closely related to their underlying molecular topological descriptors. Thus, topological indices are fascinating beginning points to any statistical approach for attaining quantitative structure–activity (QSAR) and quantitative structure–property (QSPR) relationship studies. Irregularity measures are generally used for quantitative characterization of the topological structure of non-regular graphs. In various applications and problems in material engineering and chemistry, it is valuable to be well-informed of the irregularity of a molecular structure. Furthermore, the estimation of the irregularity of graphs is helpful for not only QSAR/QSPR studies but also different physical and chemical properties, including boiling and melting points, enthalpy of vaporization, entropy, toxicity, and resistance. In this article, we compute the irregularity measures of graphene nanosheet, H-naphtalenic nanosheet, {\text{SiO}}_{2} nanosheet, and the nanosheet covered by {C}_{3} and {C}_{6}.

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On Eccentricity-Based Topological Indices Study of a Class of Porphyrin-Cored Dendrimers

Cited by 28 publications

References 34 publications

Some Eccentricity-Based Topological Indices and Polynomials of Poly(EThyleneAmidoAmine) (PETAA) Dendrimers

Some Eccentricity-Based Topological Indices and Polynomials of Poly(EThyleneAmidoAmine) (PETAA) Dendrimers

On Irregularity Measures of Some Dendrimers Structures

The measure of irregularities of nanosheets

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