Topological Aspects of Dendrimers via Distance Based Descriptors

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

doi:10.1109/access.2019.2904736

Cited by 32 publications

(23 citation statements)

References 25 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…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

Self Cite

View full text Add to dashboard Cite

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.

show abstract

Section: Methodsmentioning

confidence: 99%

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

et al. 2019

Self Cite

View full text Add to dashboard Cite

show abstract

“…For the comprehensive study regarding the various graph descriptors, we refer to refs. [ 22–35 ] . Before we proceed to the main results, the upcoming proposition with the results of the Mostar index and the edge Mostar index for the path graph on l vertices can be easily verified.Proposition

{Mo}_{v} ((), {scriptP}_{l}) = {Mo}_{e} ((), {scriptP}_{l}) = (⌊⌋, \frac{{(l - 1)}^{2}}{2})

.…”

Section: Introductionmentioning

confidence: 99%

Edge Mostar index of chemical structures and nanostructures using graph operations

Imran

Akhter

Iqbal

2020

Int J of Quantum Chemistry

Self Cite

View full text Add to dashboard Cite

Recently, a new bond‐additive molecular topological descriptor, named the Mostar index, has been put forward as a measure of peripherality in chemical graphs and networks. In this article, we determine the edge versions of the Mostar index of a corona product, Cartesian product, join, Indu‐Bala product, and subdivision vertex‐edge join of graphs and implement these outcomes to find the edge Mostar index of several classes of chemical graphs and nanostructures.

show abstract

“…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

Self Cite

View full text Add to dashboard Cite

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}.

show abstract

Topological Aspects of Dendrimers via Distance Based Descriptors

Cited by 32 publications

References 25 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

Edge Mostar index of chemical structures and nanostructures using graph operations

The measure of irregularities of nanosheets

Contact Info

Product

Resources

About