2,602 Results Found

Topological indices are numbers that are applied to a graph and can be used to describe specific graph properties through algebraic structures. Algebraic graph theory is a helpful tool in a range of chemistry domains. Because it helps explain how the...

Dendrimers are highly branched organic macromolecules with successive layers of branch units surrounding a central core. The M-polynomial of nanotubes has been vastly investigated as it produces many degree-based topological indices. These indices ar...

Topological indices are useful for predicting the physicochemical behavior of chemical compounds. A main problem in this topic is finding good bounds for the indices, usually when some parameters of the graph are known. The aim of this paper is to us...

Tickysim is a clock tick-based simulator for the inter-chip interconnection network of the SpiNNaker architecture. Network devices such as arbiters, routers, and packet generators store, read, and write forward data through fixed-length FIFO buffers....

The association of M-polynomial to chemical compounds and chemical networks is a relatively new idea, and it gives good results about the topological indices. These results are then used to correlate the chemical compounds and chemical networks with...

A topological index is a number generated from a molecular structure (i.e., a graph) that indicates the essential structural properties of the proposed molecule. Indeed, it is an algebraic quantity connected with the chemical structure that correlate...

Molecular fractals are geometric patterns that appear self-similar across all length scales and are constructed by repeating a single unit on a regular basis. Entropy, as a core thermodynamic function, is an extension based on information theory (suc...

Fractals are geometric patterns that appear self-similar across all length scales and are constructed by repeating a single unit on a regular basis. Entropy, as a core thermodynamic function, is an extension based on information theory (such as Shann...

Topological descriptors play an important role in chemical graph theory and QSPR/QSAR studies by relating molecular structure to measurable physicochemical properties. Among standard benchmark families, octane isomers are frequently used to evaluate...

A comparative study of 36 molecular descriptors derived from the topologicaldistance matrix and van der Waals space is carried out within this paper. They arepartitioned into 16 generalized topological distance matrix indices, 11 topologicaldistance...

The importance of symmetry in graph theory has always been significant, but in recent years, it has become much more so in a number of subfields, including but not limited to domination theory, topological indices, Gromov hyperbolic graphs, and the m...

We obtain a large number of degree and distance-based topological indices, graph and Laplacian spectra and the corresponding polynomials, entropies and matching polynomials of n-dimensional hypercubes through the use of Hadamard symmetry and recursiv...

A novel approach for analyzing the structural integrity and operational vulnerability of complex networks using intuitionistic fuzzy graphs has been modeled. While traditional fuzzy graph metrics focus primarily on existence, they fail to capture the...

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 eccentri...

In this work, we study the degree-based topological invariants, and the general sum-connectivity, $AB{C}_4$ , $G{A}_5$ , general Zagreb, $GA$ , generalized Randić, and $ABC$ indices of the line graphs of some rooted product...

Due to the observed increase in the importance of computational methods in determining selected physicochemical parameters of biologically active compounds that are key to understanding their ADME/T profile, such as lipophilicity, there is a great ne...

The enthalpy of formation of a set of 60 hydroarbons is calculated on the basis of topological descriptors defined from the distance and detour matrices within the realm of the QSAR/QSPR theory. Linear and non-linear polynomials fittings are made and...

Topological indices provide numerical descriptions of graph structure and support graph analysis in cheminformatics, network design, and graph mining. This study presents a reproducible computational framework that combines controlled cyclic-graph ge...

mVolatile organic compounds (VOCs) play an important role in differentphotochemical processes in the troposphere. In order to predict their impact on ozoneformation processes a detailed knowledge about their abundance in the atmosphere as wellas thei...

An algebraic graph is defined in terms of graph theory as a graph with related algebraic structures or characteristics. If the vertex set of a graph $\mathcal{G}$ is a group, a ring, or a field, then $\mathcal{G}$ is called an algebraic structure graph. This work uses an al...

This study introduces a new family of bond-length-weighted molecular topological indices ($BWMTIs$) within chemical graph theory and evaluates their applicability to quantitative structure–property relationship ($QSPR$) modeling of selected anti-tu...

A VDB (vertex-degree-based) topological index over a set of digraphs $\mathcal{H}$ is a function $\phi :\mathcal{H}\to \mathbb{R}$, defined for each $H\in \mathcal{H}$ as $$\phi \left(H\right)=\frac{1}{2}\sum _{uv\in E}{\phi }_{d_u^{+}{d}_v^{-}},$$ where E is the arc set of H, $d_u^{+}$ and $d_v^{-}$ denote the out-degree and in-de...

There are several chemical indices that have been introduced in theoretical chemistry to measure the properties of molecular topology, such as distance-based topological indices, degree-based topological indices and counting-related topological indic...

A topic of current interest in the study of topological indices is to find relations between some index and one or several relevant parameters and/or other indices. In this paper we study two general topological indices $A_{\alpha }$ and $B_{\alpha }$, defined...

Topological indices are closely related to the stability and physical properties (such as the boiling point) of chemical molecules. The permanental sum and Hosoya index are two topological indices that are strongly associated with molecular structure...

A series of previously conducted experiments pertaining to various chemicals and drugs uncover a natural linkage between the molecular structures and the bio-medical and pharmacological characteristics. The forgotten topological index computed for th...

A topological index is a numerical representation of a chemical structure, while a topological descriptor correlates certain physico-chemical characteristics of underlying chemical compounds besides its numerical representation. A large number of pro...

A topological index is a number related to the atomic index that allows quantitative structure–action/property/toxicity connections. All the more vital topological indices correspond to certain physico-concoction properties like breaking point,...

There are numeric numbers that define chemical descriptors that represent the entire structure of a graph, which contain a basic chemical structure. Of these, the main factors of topological indices are such that they are related to different physica...

Titania is one of the most comprehensively studied nanostructures due to their widespread applications in the production of catalytic, gas sensing, and corrosion-resistant materials. M-polynomial of nanotubes has been vastly investigated, as it produ...

Graph theory has much great advances in the field of mathematical chemistry. Chemical graph theory has become very popular among researchers because of its wide applications in mathematical chemistry. The molecular topological descriptors are the num...

Graph theory serves as an engaging arena for the investigation of proof methods within the field of discrete mathematics, and its findings find practical utility in numerous scientific domains. Chemical graph theory is a specialized branch of mathema...

A Topological index also known as connectivity index is a type of a molecular descriptor that is calculated based on the molecular graph of a chemical compound. Topological indices are numerical parameters of a graph which characterize its topology a...

Topological indices collect information from the graph of molecule and help to predict properties of the underlying molecule. Zagreb indices are among the most studied topological indices due to their applications in chemistry. In this paper, we comp...

We obtain inequalities involving many topological indices in classical graph products by using the f-polynomial. In particular, we work with lexicographic product, Cartesian sum and Cartesian product, and with first Zagreb, forgotten, inverse degree...

We determine the reflexivity indices of certain topological spaces. The reflexivity index is a measure of certain type of dynamical complexity of the space. The reflexivity index is 1 exactly when there is a continuous selfmap on the space so that th...

A topological index of graph G is a numerical parameter related to G which characterizes its molecular topology and is usually graph invariant. In the field of quantitative structure-activity (QSAR)/quantitative structure-activity structure-property...

A vertex-degree-based (VDB, for short) topological index $\phi$ induced by the numbers $\left\{{\phi }_{ij}\right\}$ was recently defined for a digraph D, as ${\displaystyle \phi \left(D\right)=\frac{1}{2}\sum _{uv}{\phi }_{d_u^{+}{d}_v^{-}},}$ where $d_u^{+}$ denotes the out-degree of the vertex $u,$$d_v^{-}$ denotes the in-degree of the vertex $v,$ and the sum ru...

Vertex-degree-based (VDB) topological indices have been applied in the study of molecular structures and chemical properties. At present, the exponential VDB index has been studied extensively. Naturally, we began to consider the logarithmic VDB inde...

Topological indices are numerical parameters used to study the physical and chemical properties of compounds. In quantitative structure–activity relationship QSARs, topological indices correlate the biological activity of compounds with their p...

Let $\Gamma$ be a graph of order n with m edges, and let $A_{ag}(\Gamma )$ denote its arithmetic–geometric matrix. The eigenvalues of $A_{ag}(\Gamma )$ are referred to as the arithmetic–geometric eigenvalues of $\Gamma$. The sum of the absolute value...

A graph G is called an ℓ-apex tree if there exist a vertex subset $A\subset V\left(G\right)$ with cardinality ℓ such that $G-A$ is a tree and there is no other subset of smaller cardinality with this property. In the paper, we investigate...

In this article, we study the chemical graph of a cyclic octahedron structure of dimension n and compute the eccentric connectivity polynomial, the eccentric connectivity index, the total eccentricity, the average eccentricity, the first Zagreb index...

In the present work, we analyze the dynamics of indirect connections between insurance companies that result from market price channels. In our analysis, we assume that the stock quotations of insurance companies reflect market sentiments, which cons...

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 report, we compu...

Topological indices (molecular descriptors) are numerical values of a chemical structure and represented by a graph. Molecular descriptors are used in QSPR/QSAR modeling to determine a chemical structure’s physical, biological, and chemical pro...

New valence topological charge-transfer indices are applied to the calculation of dipole moments. The algebraic and vector semisum charge-transfer indices are defined. The combination of the charge-transfer indices allows the estimation of the dipole...

This article is devoted to the determination of edge-based eccentric topological indices of a zero divisor graph of some algebraic structures. In particular, we computed the first Zagreb eccentricity index, third Zagreb eccentricity index, geometric-...

The discovery of new nanomaterials adds new dimensions to industry, electronics, and pharmaceutical and biological therapeutics. In this article, we first find closed forms of M-polynomials of polyhex nanotubes. We also compute closed forms of variou...

A topological index is a numeric quantity associated with a chemical structure that attempts to link the chemical structure to various physicochemical properties, chemical reactivity, or biological activity. Let $\mathcal{R}$ be a commutative ring with identity,...