scholarly journals Computing Zagreb and Randić Indices of PEG-Cored Dendrimers Used for Drug and Gene Delivery

2020 ◽  
Vol 2020 ◽  
pp. 1-7
Author(s):  
Thayamathy Pio Jude ◽  
Elango Panchadcharam ◽  
Koneswaran Masilamani
Keyword(s):  
Gene Delivery ◽  
Drug Design ◽  
Topological Indices ◽  
Randić Index ◽  
Molecular Topology ◽  
Design And Development ◽  
Randic Index ◽  
Zagreb Indices ◽  
Chemical Structures ◽  
Drug And Gene Delivery

Zagreb and Randić indices are the most commonly used degree-based topological indices in the study of drug design and development. In molecular topology, M-polynomials are also used to calculate the degree-based topological indices of chemical structures. In this paper, we derive the M-polynomials for the PEG-cored PAMAM, carbosilane, and poly (lysine) dendrimers and calculate their first, second, and second modified Zagreb indices and the Randić index.

scholarly journals On Leap Reduced Reciprocal Randic and Leap Reduced Second Zagreb Indices of Some Graphs

2019 ◽  
Vol 3 (2) ◽  
pp. 27-35
Author(s):  
Fazal Dayan ◽  
Muhammad Javaid ◽  
Muhammad Aziz ur Rehman
Keyword(s):  
Topological Indices ◽  
Randić Index ◽  
Zagreb Index ◽  
Randic Index ◽  
Zagreb Indices ◽  
Second Zagreb Index ◽  
Second Degree

Naji et al. introduced the leap Zagreb indices of a graph in 2017 which are new distance-degree-based topological indices conceived depending on the second degree of vertices. In this paper, we have defined the first and second leap reduced reciprocal Randic index and leap reduced second Zagreb index for selected wheel related graphs.

scholarly journals M-polynomial and topological indices of some transformed networks

2021 ◽  
Vol 6 (12) ◽  
pp. 13887-13906
Author(s):  
Fei Yu ◽  
◽  
Hifza Iqbal ◽  
Saira Munir ◽  
Jia Bao Liu ◽  
...  
Keyword(s):  
Interconnection Networks ◽  
Chemical Compounds ◽  
Topological Indices ◽  
Randić Index ◽  
Topological Properties ◽  
Randic Index ◽  
Zagreb Indices ◽  
General Randić Index ◽  
General Randic Index ◽  
Dual Operations

<abstract><p>In the chemical industry, topological indices play an important role in defining the properties of chemical compounds. They are numerical parameters and structure invariant. It is a proven fact by scientists that topological properties are influential tools for interconnection networks. In this paper, we will use stellation, medial and bounded dual operations to build transformed networks from zigzag and triangular benzenoid structures. Using M-polynomial, we compute the first and second Zagreb indices, second modified Zagreb indices, symmetric division index, general Randic index, reciprocal general Randic index. We also calculate atomic bond connectivity index, geometric arithmetic index, harmonic index, first and second Gourava indices, first and second hyper Gourava indices.</p></abstract>

scholarly journals M-Polynomials and Degree-Based Topological Indices of the Molecule Copper(I) Oxide

2021 ◽  
Vol 2021 ◽  
pp. 1-12
Author(s):  
Faryal Chaudhry ◽  
Iqra Shoukat ◽  
Deeba Afzal ◽  
Choonkil Park ◽  
Murat Cancan ◽  
...  
Keyword(s):  
Topological Indices ◽  
Randić Index ◽  
Zagreb Index ◽  
Harmonic Index ◽  
Randic Index ◽  
Zagreb Indices ◽  
Symmetric Division ◽  
Augmented Zagreb Index ◽  
Physical And Chemical ◽  
Modified Zagreb Index

Topological indices are numerical parameters used to study the physical and chemical residences of compounds. Degree-based topological indices have been studied extensively and can be correlated with many properties of the understudy compounds. In the factors of degree-based topological indices, M-polynomial played an important role. In this paper, we derived closed formulas for some well-known degree-based topological indices like first and second Zagreb indices, the modified Zagreb index, the symmetric division index, the harmonic index, the Randić index and inverse Randić index, and the augmented Zagreb index using calculus.

scholarly journals M-Polynomials and Degree-Based Topological Indices of Triangular, Hourglass, and Jagged-Rectangle Benzenoid Systems

2018 ◽  
Vol 2018 ◽  
pp. 1-8 ◽  
Author(s):  
Young Chel Kwun ◽  
Ashaq Ali ◽  
Waqas Nazeer ◽  
Maqbool Ahmad Chaudhary ◽  
Shin Min Kang
Keyword(s):  
Graph Theory ◽  
Biological Properties ◽  
Vital Role ◽  
Topological Indices ◽  
Molecular Topology ◽  
Chemical Graph ◽  
Chemical Structures ◽  
Research Fields ◽  
Chemical Graph Theory ◽  
Active Research

Chemical graph theory is a branch of mathematical chemistry which has an important effect on the development of the chemical sciences. The study of topological indices is currently one of the most active research fields in chemical graph theory. Topological indices help to predict many chemical and biological properties of chemical structures under study. The aim of this report is to study the molecular topology of some benzenoid systems. M-polynomial has wealth of information about the degree-based topological indices. We compute M-polynomials for triangular, hourglass, and jagged-rectangle benzenoid systems, and from these M-polynomials, we recover nine degree-based topological indices. Our results play a vital role in pharmacy, drug design, and many other applied areas.

scholarly journals Several Topological Indices of Two Kinds of Tetrahedral Networks

2021 ◽  
Vol 2021 ◽  
pp. 1-10
Author(s):  
Jia-Bao Liu ◽  
Lu-Lu Fang
Keyword(s):  
Finite Element ◽  
Network Model ◽  
Topological Indices ◽  
Randić Index ◽  
Zagreb Index ◽  
Randic Index ◽  
Research Studies

Tetrahedral network is considered as an effective tool to create the finite element network model of simulation, and many research studies have been investigated. The aim of this paper is to calculate several topological indices of the linear and circle tetrahedral networks. Firstly, the resistance distances of the linear tetrahedral network under different classifications have been calculated. Secondly, according to the above results, two kinds of degree-Kirchhoff indices of the linear tetrahedral network have been achieved. Finally, the exact expressions of Kemeny’s constant, Randic index, and Zagreb index of the linear tetrahedral network have been deduced. By using the same method, the topological indices of circle tetrahedral network have also been obtained.

scholarly journals Neighborhood-Based Descriptors for Porphyrin Dendrimers

2021 ◽  
Vol 12 (5) ◽  
pp. 6297-6307
Keyword(s):  
Water Solubility ◽  
Topological Indices ◽  
Molecular Structures ◽  
Gyration Radius ◽  
Randić Index ◽  
Randic Index ◽  
Medication Delivery ◽  
Mathematical Vocabulary ◽  
New Type

The symmetry of molecular structures is captured by topological indices, which provide a mathematical vocabulary for predicting features such as boiling temperatures, viscosity, and gyration radius and are also employed in QSPR/QSAR research. Dendrimers are a brand-new type of polymer. It is characterized as a macromolecule due to its highly radiated structure, providing great water solubility and adaptability. Because of these features, dendrimers are a strong alternative for medication delivery. This article investigates some topological indices based on neighborhood degrees such as Modified Randic index, Inverse Sum Index, SK, SK1, and SK2 index for some dendrimers.

scholarly journals Topological Descriptors of M-Carbon M r , s , t

2021 ◽  
Vol 2021 ◽  
pp. 1-14
Author(s):  
Hong Yang ◽  
Muhammad Naeem
Keyword(s):  
Crystal Structures ◽  
Topological Indices ◽  
Connectivity Index ◽  
Topological Descriptors ◽  
Chemical System ◽  
Zagreb Indices ◽  
Chemical Structures ◽  
The One ◽  
Atom Bond

We have studied topological indices of the one the hardest crystal structures in a given chemical system, namely, M-carbon. These structures are based and obtained by the famous algorithm USPEX. The computations and applications of topological indices in the study of chemical structures is growing exponentially. Our aim in this article is to compare and compute some well-known topological indices based on degree and sum of degrees, namely, general Randić indices, Zagreb indices, atom bond connectivity index, geometric arithmetic index, new Zagreb indices, fourth atom bond connectivity index, fifth geometric arithmetic index, and Sanskruti index of the M-carbon M r , s , t . Moreover, we have also computed closed formulas for these indices.

scholarly journals Comparing the molecular graph degeneracy of Wiener, Harary, Balaban, Randi´c and ZEP topological indices

2014 ◽  
Vol 23 (2) ◽  
pp. 165-174
Author(s):  
ZOITA-MARIOARA BERINDE ◽  
Keyword(s):  
Topological Index ◽  
Molecular Graph ◽  
Wiener Index ◽  
Topological Indices ◽  
Randić Index ◽  
Discrimination Power ◽  
Harary Index ◽  
Molecular Chemistry ◽  
Randic Index

The aim of this paper is to show that the ZEP topological index has better discrimination power than four well known topological indices in molecular chemistry: Balaban index, Harary index, Randic index, and Wiener index.

scholarly journals Topology-Based Analysis of OTIS (Swapped) Networks OKn and OPn

2019 ◽  
Vol 2019 ◽  
pp. 1-11
Author(s):  
Hai-Xia Li ◽  
Sarfaraz Ahmad ◽  
Iftikhar Ahmad
Keyword(s):  
Topological Index ◽  
Molecular Descriptor ◽  
Randić Index ◽  
Zagreb Index ◽  
Randic Index ◽  
Chemical Graph ◽  
Zagreb Indices ◽  
Second Zagreb Index ◽  
Chemical Graph Theory ◽  
Augmented Zagreb Index

In the fields of chemical graph theory, topological index is a type of a molecular descriptor that is calculated based on the graph of a chemical compound. In this paper, M-polynomial OKn and OPn networks are computed. The M-polynomial is rich in information about degree-based topological indices. By applying the basic rules of calculus on M-polynomials, the first and second Zagreb indices, modified second Zagreb index, general Randić index, inverse Randić index, symmetric division index, harmonic index, inverse sum index, and augmented Zagreb index are recovered.

scholarly journals Study of Hardness of Superhard Crystals by Topological Indices

2021 ◽  
Vol 2021 ◽  
pp. 1-10
Author(s):  
Xiujun Zhang ◽  
Muhammad Naeem ◽  
Abdul Qudair Baig ◽  
Manzoor Ahmad Zahid
Keyword(s):  
Molecular Structure ◽  
Chemical Structure ◽  
Topological Indices ◽  
Connectivity Index ◽  
Chemical Bonds ◽  
Randić Index ◽  
Total Resistance ◽  
Randic Index ◽  
Atom Bond

Topological indices give immense information about a molecular structure or chemical structure. The hardness of materials for the indentation can be defined microscopically as the total resistance and effect of chemical bonds in the respective materials. The aim of this paper is to study the hardness of some superhard B C x crystals by means of topological indices, specifically Randić index and atom-bond connectivity index.

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