Topological Indices of Graphs from Vector Spaces

A fuzzy graph is one of the versatile application tools in the field of mathematics, which allows the user to easily describe the fuzzy relation between any objects. The nature of fuzziness is favorable for any environment, which supports to predict the problem and solving it. Fuzzy graphs are beneficial to give more precision and flexibility to the system as compared to the classical model (i.e.,) crisp theory. A topological index is a numerical quantity for the structural graph of the molecule and it can be represented through Graph theory. Moreover, its application not only in the field of chemistry can also be applied in areas including computer science, networking, etc. A lot of topological indices are available in chemical-graph theory and H. Wiener proposed the first index to estimate the boiling point of alkanes called ‘Wiener index’. Many topological indices exist only in the crisp but it’s new to the fuzzy graph environment. The main aim of this paper is to define the topological indices in fuzzy graphs. Here, indices defined in fuzzy graphs are Modified Wiener index, Hyper Wiener index, Schultz index, Gutman index, Zagreb indices, Harmonic index, and Randić index with illustrations. Bounds for some of the indices are proved. The algorithms for distance matrix and MWI are shown. Finally, the application of these indices is discussed.

A graph in which atoms are taken as vertices and bonds can be shown by edges is called a molecular graph. For such graphs we can find the indices showing their bioactivity as well as their physio-chemical properties. Industry is flourishing nowadays just because of the interdisciplinary study of different subjects. This gives us a way to understand the application of different subjects. Chemical graph theory is a mixture of chemistry and mathematics both play an important role in chemical graph theory. Chemistry provides a chemical compound and graph theory transform this chemical compound into a molecular graph which further studied by different aspects such as topological indices. In this article, we computed generalized Randić, general Zagreb, general sum-connectivity, ABC, GA, and indices of line graphs of the and nanotubes.”

Chemical graph theory is a sub-branch of mathematical chemistry, assuming each atom of a molecule is a vertex and each bond between atoms as an edge. Owing to this theory, it is possible to avoid the difficulties of chemical analysis because many of the chemical properties of molecules can be determined and analyzed via topological indices. Due to these parameters, it is possible to determine the physicochemical properties, biological activities, environmental behaviours and spectral properties of molecules. Nowadays, studies on the zero divisor graph of Z_n via topological indices is a trending field in spectral graph theory. For a commutative ring R with identity, the prime ideal sum graph of R is a graph whose vertices are nonzero proper ideals of R and two distinctvertices I and J are adjacent if and only if I+J is a prime ideal of R. In this study the forgotten topological index and Wiener index of the prime ideal sum graph of Z_n are calculated for n=p^α,pq,p^2 q,p^2 q^2,pqr,p^3 q,p^2 qr,pqrs where p,q,r and s are distinct primes and a Sage math code is developed for designing graph and computing the indices. In the light of this study, it is possible to handle the other topological descriptors for computing and developing new algorithms for next studies and to study some spectrum and graph energies of certain finite rings with respect to PIS-graph easily.

Aims: The paper investigates the Reduced Sombor Index () for unicyclic graphs. Specifically, it aims to determine and characterize the unicyclic graphs that attain the minimum index among all unicyclic graphs of a given order. Study Design: This is a theoretical mathematical study based on graph theory and topological indices. The study involves defining and analyzing the Reduced Sombor Index by comparing values across different unicyclic graphs. Lemmas and theorems are proved to establish the minimum index graph. Methodology: Several graph transformation operations are analyzed. The study proves multiple lemmas that compare values before and after transformations by demonstrating whether a specific structural modification increases or decreases the value. Results: The minimum value in unicyclic graphs is achieved only by cycle graphs. Several lemmas prove that adding pendant vertices or modifying graph structure increases RSO. The final theorem establishes that for any unicyclic graph of order n, with equality if and only if G is a cycle . Conclusion: The study successfully characterizes unicyclic graphs with the minimum Reduced Sombor Index ). It establishes that cyclic graphs are the unique minimizers of the index among unicyclic graphs. Any structural modification leading to non-cycle unicyclic graphs increases . The findings contribute to chemical graph theory by refining how topological indices behave in molecular graph models.

Introduction: Chemical Graph Theory or CGT for short, is a transdisciplinary field of Mathematics wherein graphs are used to represent chemical compounds. Under this representation, the atoms of a chemical compound are expressed as vertices, while the bonds connecting these atoms are expressed as edges. Once the graph representation of a chemical compound has been determined, graph-theoretic techniques can now be used to determine various topological indices associated with the chemical compound. Topological indices are invariants of a graph that have predictive power for the chemical properties of a chemical compound. In CGT, trees, being connected and acyclic, have been an essential class of graphs. This is because, most compounds have acyclic molecular structures. In the 2023 study by Gowtham and Husin, various reverse topological indices of a family of trees called bistar graphs have been determined. Objectives: Motivated by the work of Gowtham and Husin, we determine some reverse topological indices of another family of trees called comets and double comets. Double comets are natural extension of bistar graphs. We also give a certain computational application of our results on double comet graphs. Finally, we investigate the relationship between the reverse topological indices of bistar graphs and double comets. Methods: Several important graph-theoretic concepts were used to analyze some important properties of comets and double comets, leading to the computation of their reverse vertex degree based topological indices. Results: The following reverse vertex degree-based topological indices for comets and double comets were determined: Reverse sum-connectivity, First reverse Zagreb, Second reverse Zagreb, Reverse arithmetic-geometric, Reverse geometric-arithmetic, Reverse Sombor, and Reverse Nirmala. A computational application of the results to a certain chemical compound (2,2,4,4-Tetramethylpentane) or C9H20 were also demonstrated. Conclusions: The results of the paper provided an extension to an existing result on the reverse vertex degree-based topological indices of bistar graphs by considering double comet graphs. Several topological reverse vertex degree-based topological indices were also computed for comet graphs. The computed topological indices were also applied in determining some invariants of a certain chemical compound. For future studies, we recommend that reverse vertex degree based topological indices of other family of trees will be considered.

The field of mathematics that studies the relationship between algebraic structures and graphs is known as algebraic graph theory. It incorporates concepts from graph theory, which examines the characteristics and topology of graphs, with those from abstract algebra, which deals with algebraic structures such as groups, rings, and fields. If the vertex set of a graph G^ is fully made up of the zero divisors of the modular ring Zn, the graph is said to be a zero-divisor graph. If the products of two vertices are equal to zero under (modn), they are regarded as neighbors. Entropy, a notion taken from information theory and used in graph theory, measures the degree of uncertainty or unpredictability associated with a graph or its constituent elements. Entropy measurements may be used to calculate the structural complexity and information complexity of graphs. The first, second and second modified Zagrebs, general and inverse general Randics, third and fifth symmetric divisions, harmonic and inverse sum indices, and forgotten topological indices are a few topological indices that are examined in this article for particular families of zero-divisor graphs. A numerical and graphical comparison of computed topological indices over a proposed structure has been studied. Furthermore, different kinds of entropies, such as the first, second, and third redefined Zagreb, are also investigated for a number of families of zero-divisor graphs.

A topological index of graph G is a numerical parameter related to G, which characterizes its topology and is preserved under isomorphism of graphs. Properties of the chemical compounds and topological indices are correlated. In this paper we will compute M-polynomial, first and second Zagreb polynomials and forgotten polynomial for the Cartesian Product of a path and a complete bipartite graph for all values of n and m. From the M-polynomial, we will compute many degree-based topological indices such that general Randic index, inverse Randic index, first and second Zagreb index, modified Zagreb index, Symmetric division index, Inverse sum index augmented Zagreb index and harmonic index for the Cartesian Product of a path and a complete bipartite graph. Also, we will compute the hyper- Zagreb index, the first and second multiple Zagreb index and forgotten index for the Cartesian Product of a path and a complete bipartite graph.

The two fastest-growing subfields of graph theory are graph coloringand topological indices. Graph coloring is assigning the colors/values to theedges/vertices or both. A proper coloring of the graph G is assigning colors/valuesto the vertices/edges or both so that no two adjacent vertices/edges share the samecolor/value. Recently, studies involving Chromatic Topological indices that dealtwith different graph coloring were studied. In such studies, the vertex degrees getreplaced with the colors, and the computation is carried out based on the topologicalindex of our choice. We focus on b-Chromatic Zagreb indices and b-Chromaticirregularity indices in this work. This paper discusses the b-Chromatic Zagreb indicesand b-Chromatic irregularity indices of the gear graph, star graph, and itsderived graphs such as the line and middle graph.

The inverse degree of a graph G with no isolated vertices is defined as the sum of reciprocal of vertex degrees of the graph G. In this paper, we obtain several lower and upper bounds on inverse degree ID(G). Moreover, using computational results, we prove our upper bound is strong and has the smallest deviation from the inverse degree ID(G). Next, we compare inverse degree ID(G) with topological indices (Randic index R(G), geometric-arithmetic index GA(G)) for chemical trees and also we determine the n-vertex chemical trees with the minimum, the second and the third minimum, as well as the second and the third maximum of ID - R. In addition, we correct the second and third minimum Randic index chemical trees in [16].

A Topological index is a molecular structure descriptor of a molecular graph and it has many applications in real world issues. The Zagreb Indices based on degree of vertices of a graph are widely studied in chemical graph theory in over the past few years. Degree based Zagreb indices of undirected graphs {G_{m,n}}^M and G_n graphs are computed in this paper.

Chemical graph theory is currently expanding the use of topological indices to numerically encode chemical structure. The prediction of the characteristics provided by the chemical structure of the molecule is a key feature of these topological indices. The concepts from graph theory are presented in a brief discussion of one of its many applications to chemistry, namely, the use of topological indices in quantitative structure-activity relationship (QSAR) studies and quantitative structure-property relationship (QSPR) studies. This study uses the M-polynomial approach, a newly discovered technique, to determine the topological indices of the medication fenofibrate. With the use of degree-based topological indices, we additionally construct a few novel degree based topological descriptors of fenofibrate structure using M-polynomial. When using M-polynomials in place of degree-based indices, the computation of the topological indices can be completed relatively quickly. The topological indices are also plotted. Using M-polynomial, we compute novel formulas for the modified first Zagreb index, modified second Zagreb index, first and second hyper Zagreb indices, SK index, S K 1 index, S K 2 index, modified Albertson index, redefined first Zagreb index, and degree-based topological indices.

Topological indices are graph invariants computed usually by means of the distances or degrees of vertices of a graph. In chemical graph theory, a molecule can be modeled by a graph by replacing atoms by the vertices and bonds by the edges of this graph. Topological graph indices have been successfully used in determining the structural properties and in predicting certain physicochemical properties of chemical compounds. Wiener index is the oldest topological index which can be used for analyzing intrinsic properties of a molecular structure in chemistry. The Wiener index of a graph $G$ is equal to the sum of distances between all pairs of vertices of $G$. Recently, the entire versions of several indices have been introduced and studied due to their applications. Here we introduce the entire Wiener index of a graph. Exact values of this index for trees and some graph families are obtained, some properties and bounds for the entire Wiener index are established. Exact values of this new index for subdivision and $k$-subdivision graphs and some graph operations are obtained.

Topological index (TI) is a numerical invariant that helps to understand the natural relationship of the physicochemical properties of a compound in its primary structure. George Polya introduced the idea of counting polynomials in chemical graph theory and Winer made the use of TI in chemical compounds working on the paraffin's boiling point. The literature of the topological indices and counting polynomials of different graphs has grown extremely since that time. Metal-organic network (MON) is a group of different chemical compounds that consist of metal ions and organic ligands to represent unique morphology, excellent chemical stability, large pore volume, and very high surface area. Working on structures, characteristics, and synthesis of various MONs show the importance of these networks with useful applications, such as sensing of different gases, assessment of chemicals, environmental hazard, heterogeneous catalysis, gas and energy storage devices of excellent material, conducting solids, super-capacitors and catalysis for the purification, and separation of different gases. The above-mentioned properties and physical stability of these MONs become a most discussed topic nowadays. In this paper, we calculate the M-polynomials and various TIs based on these polynomials for two different MONs. A comparison among the aforesaid topological indices is also included to represent the better one.

Several bioactivities of chemical compounds in a molecular graph can be expected by using many topological descriptors. A topological descriptor is a numeric quantity which quantify the topology of a graph. By defining the metric on a graph related with a vector space, we consider this graph in the context of few topological descriptors, and quantify the Wiener index, hyper Wiener index, Reciprocal complimentary Wiener index, Schultz molecular topological index and Harary index. We also provide the graphical comparison of our results to describe the relationship and dependence of these descriptors on the involved parameters.

Expressions for the molecular topological features of silicon carbide compounds are essential for quantitative structure-property and structure-activity interactions. Chemical Graph Theory is a subfield of computational chemistry that investigates topological indices of molecular networks that correlate well with the chemical characteristics of chemical compounds. In the modern age, topological indices are extremely important in the study of graph theory. Topological indices are critical tools for understanding the core topology of chemical structures while examining chemical substances. In this article, compute the first and second k-Banhatti index, modified first and second k-Banhatti index, first and second k-hyper Banhatti index, first and second hyper Revan indices, first Revan vertex index, and third Revan index for Silicon Carbide SiC4-II [p, q] for all values of p and q