scholarly journals Some Topological Invariants of Graphs Associated with the Group of Symmetries

2020 ◽  
Vol 2020 ◽  
pp. 1-13
Author(s):  
Chang-Cheng Wei ◽  
Muhammad Salman ◽  
Usman Ali ◽  
Masood Ur Rehman ◽  
Muhammad Aqeel Ahmad Khan ◽  
...  
Keyword(s):  
Biological Activity ◽  
Topological Index ◽  
Chemical Reactivity ◽  
Wiener Index ◽  
Structural Features ◽  
Randić Index ◽  
Harary Index ◽  
Randic Index ◽  
Chemical Structures ◽  
Connectivity Indices

A topological index is a quantity that is somehow calculated from a graph (molecular structure), which reflects relevant structural features of the underlying molecule. It is, in fact, a numerical value associated with the chemical constitution for the correlation of chemical structures with various physical properties, chemical reactivity, or biological activity. A large number of properties like physicochemical properties, thermodynamic properties, chemical activity, and biological activity can be determined with the help of various topological indices such as atom-bond connectivity indices, Randić index, and geometric arithmetic indices. In this paper, we investigate topological properties of two graphs (commuting and noncommuting) associated with an algebraic structure by determining their Randić index, geometric arithmetic indices, atomic bond connectivity indices, harmonic index, Wiener index, reciprocal complementary Wiener index, Schultz molecular topological index, and Harary index.

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 Analysis of COVID-19 by Means of Graph Theory

2020 ◽  
Vol 4 (2) ◽  
pp. 48-62
Author(s):  
Abaid ur Rehman Virik ◽  
Iqra Malik
Keyword(s):  
Biological Activity ◽  
Graph Theory ◽  
Topological Index ◽  
General Type ◽  
Randić Index ◽  
Zagreb Index ◽  
Randic Index ◽  
Zagreb Indices ◽  
Augmented Zagreb Index ◽  
Modified Zagreb Index

As a powerful displaying, investigation and computational device, graph theory is widely used in biological mathematics to deal with various biology problems. In the field of microbiology, graphs can communicate the sub-atomic structure. Where cell, quality or protein can be indicated as a vertex, and the associate component can be viewed as an edge. Thusly, the biological activity characteristic can be measured via topological index computing in the comparing graphs. In this article, we for the most part concentrate some topological lists for the Corona virus graph. At first,we give a general type of M-polynomial. From the M-polynomial, we recoup some well-known degree-based topological lists, for example, First and Second Zagreb Indices, Second Modified Zagreb Index, Randic´ Index, General Randic´ Index, Symmetric Division Index, Harmonic Index, Inverse Sum Index, Augmented Zagreb Index. Our results are extensions of many existing results.

scholarly journals A Computational Approach on Acetaminophen Drug using Degree-Based Topological Indices and M-Polynomials

2021 ◽  
Vol 12 (6) ◽  
pp. 7249-7266
Keyword(s):  
Biological Activity ◽  
Physicochemical Properties ◽  
Chemical Structure ◽  
Topological Index ◽  
Chemical Reactivity ◽  
Chemical Compounds ◽  
Computational Approach ◽  
Topological Indices ◽  
Numerical Representation ◽  
Essential Drug

Topological index is a numerical representation of a chemical structure. Based on these indices, physicochemical properties, thermodynamic behavior, chemical reactivity, and biological activity of chemical compounds are calculated. Acetaminophen is an essential drug to prevent/treat various types of viral fever, including malaria, flu, dengue, SARS, and even COVID-19. This paper computes the sum and multiplicative version of various topological indices such as General Zagreb, General Randić, General OGA, AG, ISI, SDD, Forgotten indices M-polynomials of Acetaminophen. To the best of our knowledge, for the Acetaminophen drugs, these indices have not been computed previously.

scholarly journals Ordering of alkane isomers by means of connectivity indices

2002 ◽  
Vol 67 (2) ◽  
pp. 87-97 ◽  
Author(s):  
Ivan Gutman ◽  
Dusica Vidovic ◽  
Anka Nedic
Keyword(s):  
Carbon Atom ◽  
Organic Molecule ◽  
Molecular Graph ◽  
Connectivity Index ◽  
Randić Index ◽  
Randic Index ◽  
Connectivity Indices ◽  
The Difference

The connectivity index of an organic molecule whose molecular graph is Gis defined as C(?)=?(?u?v)??where ?u is the degree of the vertex u in G, where the summation goes over all pairs of adjacent vertices of G and where ? is a pertinently chosen exponent. The usual value of ? is ?1/2, in which case ?=C(?1/2) is referred to as the Randic index. The ordering of isomeric alkanes according to ??follows the extent of branching of the carbon-atom skeleton. We now study the ordering of the constitutional isomers of alkanes with 6 through 10 carbon atoms with respect to C(?) for various values of the parameter ?. This ordering significantly depends on ?. The difference between the orderings with respect to ??and with respect to C(?) is measured by a function ??and the ?-dependence of ??was established.

scholarly journals Hosoya and Harary Polynomials of TOX(n),RTOX(n),TSL(n) and RTSL(n)

2019 ◽  
Vol 2019 ◽  
pp. 1-18 ◽  
Author(s):  
Lian Chen ◽  
Abid Mehboob ◽  
Haseeb Ahmad ◽  
Waqas Nazeer ◽  
Muhammad Hussain ◽  
...  
Keyword(s):  
Topological Index ◽  
Molecular Descriptor ◽  
Wiener Index ◽  
Vital Role ◽  
Harary Index ◽  
Chemical Graph ◽  
Chemical Graph Theory ◽  
Hosoya Polynomial ◽  
Molecular Branching ◽  
Path Number

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 1947, Wiener introduced “path number” which is now known as Wiener index and is the oldest topological index related to molecular branching. Hosoya polynomial plays a vital role in determining Wiener index. In this report, we computed the Hosoya and the Harary polynomials for TOX(n),RTOX(n),TSL(n), and RTSL(n) networks. Moreover, we computed serval distance based topological indices, for example, Wiener index, Harary index, and multiplicative version of wiener index.

scholarly journals Optimizing Wiener and Randić Indices of Graphs

2020 ◽  
Vol 2020 ◽  
pp. 1-10
Author(s):  
A. C. Mahasinghe ◽  
K. K. W. H. Erandi ◽  
S. S. N. Perera
Keyword(s):  
Network Theory ◽  
Optimization Problems ◽  
Wiener Index ◽  
Edge Weight ◽  
Randić Index ◽  
Connection Strength ◽  
Separable Programming ◽  
Randic Index ◽  
Chemical Graph Theory ◽  
Potential Applications

Wiener and Randić indices have long been studied in chemical graph theory as connection strength measures of graphs. Later, these indices were used in different fields such as network analysis. We consider two optimization problems related to these indices, with potential applications to network theory, in particular to epidemiological networks. Given a connected graph and a fixed total edge weight, we investigate how individual weights must be assigned to edges, minimizing the connection strength of the graph. In order to measure the connection strength, we use the weighted Wiener index and a modified version of the ordinary Randić index. Wiener index optimization is linear, while Randić index optimization turns out to be both nonlinear and nonconvex. Hence, we adopt the technique of separable programming to generate solutions. We present our experimental results by applying relevant algorithms to several graphs.

Molecular connectivity indices revisited

1990 ◽  
Vol 55 (3) ◽  
pp. 630-633 ◽  
Author(s):  
Milan Kunz
Keyword(s):  
Adjacency Matrix ◽  
Connectivity Index ◽  
Regular Graphs ◽  
Randić Index ◽  
Molecular Connectivity ◽  
Randic Index ◽  
Molecular Connectivity Indices ◽  
Connectivity Indices

It is shown that the product νiνj of degrees ν of vertices ij, incident with the edge ij, is the number of paths of length 1, 2, and 3 in which the edge is in the center. The unified connectivity index χm = Σ(νiνj)m, where the sum is made over all edges, with m = 1, is the sum of the number of edges, the Platt number and the polarity number. And it is identical with the half sum of the cube A3 of the adjacency matrix A. The Randić index χ-1/2 of regular graphs does not depend on their connectivity.

On extremal bipartite graphs with given number of cut edges

2020 ◽  
Vol 12 (02) ◽  
pp. 2050015
Author(s):  
Hanlin Chen ◽  
Renfang Wu
Keyword(s):  
Topological Index ◽  
Wiener Index ◽  
Bipartite Graphs ◽  
Topological Indices ◽  
Extremal Graphs ◽  
Unified Approach ◽  
Harary Index ◽  
Eccentricity Index ◽  
Extremal Values

Let [Formula: see text] be a topological index of a graph. If [Formula: see text] (or [Formula: see text], respectively) for each edge [Formula: see text], then [Formula: see text] is monotonically decreasing (or increasing, respectively) with the addition of edges. In this paper, by a unified approach, we determine the extremal values of some monotonic topological indices, including the Wiener index, the hyper-Wiener index, the Harary index, the connective eccentricity index, the eccentricity distance sum, among all connected bipartite graphs with a given number of cut edges, and characterize the corresponding extremal graphs, respectively.

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 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.

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