On the Studies of Dendrimers via Connection-Based Molecular Descriptors

Sattar, Aqsa; Javaid, Muhammad; Alam, Md. Nur

doi:10.1155/2022/1053484

Cited by 12 publications

(4 citation statements)

References 23 publications

(27 reference statements)

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“…Further, Liu et al [25] found the topological properties of neural networks. Recently, Sattar et al [26][27][28] worked on computing the general expression of ZIs for two types of dendrimers. For the other terminologies not discussed in this paper, the readers are referred to [29][30][31].…”

Section: Introductionmentioning

confidence: 99%

Topological Aspects of Dendrimers via Connection-Based Descriptors

Javaid¹,

Alamer²,

Sattar³

2023

Computer Modeling in Engineering &Amp; Sciences

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Topological indices (TIs) have been practiced for distinct wide-ranging physicochemical applications, especially used to characterize and model the chemical structures of various molecular compounds such as dendrimers, nanotubes and neural networks with respect to their certain properties such as solubility, chemical stability and low cytotoxicity. Dendrimers are prolonged artificially synthesized or amalgamated natural macromolecules with a sequential layer of branches enclosing a central core. A present-day trend in mathematical and computational chemistry is the characterization of molecular structure by applying topological approaches, including numerical graph invariants. Among topological descriptors, Zagreb connection indices (ZCIs) have much importance. This manuscript involves the establishment of general results to calculate ZCIs, namely first ZCI (FZCI), second ZCI (SZCI), third ZCI (TZCI), modified FZCI, modified SZCI and modified TZCI of two special types of dendrimers nanostars, namely, poly propylene imine octamin (PPIO) dendrimer and poly (propyl) ether imine (PPEtIm) dendrimer. Furthermore, we provide the numerical and graphical comparative analysis of our calculated results for both types of dendrimers with each other.

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Section: Introductionmentioning

confidence: 99%

Topological Aspects of Dendrimers via Connection-Based Descriptors

Javaid¹,

Alamer²,

Sattar³

2023

Computer Modeling in Engineering &Amp; Sciences

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“…Cao et al [23] computed ZCIs of molecular graphs. Sattar et al [24][25][26] just discovered the CBZIs of dendrimer nanostars. Further, Ali et al [27] estimated modified CBZIs for T-sum graphs in 2020.…”

Section: Introductionmentioning

confidence: 99%

Topological Aspects of Molecular Networks: Crystal Cubic Carbons

Javaid

Sattar

Bonyah³

2022

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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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“…ese descriptors are used in measuring irregularity, connectivity, centrality, and peripherality in networks [24]. Topological indices for various networks have been studied in recent years [25][26][27][28].…”

Section: Introductionmentioning

confidence: 99%

Distance-Based Topological Descriptors on Ternary Hypertree Networks

Xavier

Varghese

et al. 2022

Complexity

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Topological indices are numeric parameters which portray the topology of a subatomic structure. In QSAR/QSPR analysis, topological descriptors play a vital role to examine the topology of a network. An interconnection network is a structure whose components are connected physically according to some pattern. In this paper, an interconnection network, ternary hypertree, which is a structural combination of complete ternary tree and hypertree, is introduced. We have evaluated the topological descriptors grounded on the distances for the ternary hypertree. The analytical expressions for Wiener, different types of Szeged, and Mostar indices are determined.

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On the Studies of Dendrimers via Connection-Based Molecular Descriptors

Cited by 12 publications

References 23 publications

Topological Aspects of Dendrimers via Connection-Based Descriptors

Topological Aspects of Dendrimers via Connection-Based Descriptors

Topological Aspects of Molecular Networks: Crystal Cubic Carbons

Distance-Based Topological Descriptors on Ternary Hypertree Networks

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