<abstract> <p>The use of topological descriptors is the key method, regardless great advances taking place in field drug design. Descriptors portray chemical characteristic a molecule numerical form, that used for QSAR/QSPR models. The values related with constitutions correlate structure physical properties refer to indices. study reactivity or biological activity termed quantitative relationship, which index plays significant role. Chemical graph theory one such branch science...

Cheminformatics is a modern field of chemistry information science and mathematics that very much helpful in keeping the data getting about chemicals. A new two-dimensional carbon known as diphenylene was identified synthesized. It considered one materials have many applications most fields such catalysis. The number spanning trees graph G, also complexity denoted by τ(G), an important, well-studied quantity theory, appears applications. In this paper, we introduce chemical compound chain...

In this paper, disconnected multi-effect domination is discussed, a new model in graphs introduced . Let finite, simple, nontrivial, and undirected graph without isolated vertex. A dominating subset set if for every vertex , ((2and subgraph. The minimum cardinality over all sets the number of denoted by work some generated corona operation will be studied.

This special issue of “Applied Discrete Mathematics, Combinatorics, Cryptography, Computer Science and Computation”, presents a selection cutting-edge research in the fields cryptography, algebra, module theory. These areas continue to evolve provide foundational insights for modern technology, particularly realms secure communication mathematical modeling.

In this article, we dive into the metric dimension of various lattice networks, focusing on Bakelite, Backbone DNA, and Polythiophene networks. The is a crucial graph invariant that helps us understand how uniquely can identify vertices in network. Our detailed analysis calculations reveal for Polythiophene, DNA networks consistently two. This means that, within these structures, simple pair enough to pinpoint location all other vertices. These insights shed light structural properties...

If the distances between two vertices in a simple connected network are different, then vertex x resolves pair u and v. A set S of G is referred to as resolving if every distinct can be identified by at least one S. The metric dimension (MD) minimum number required for set. Moreover, an edge generator any subset that distinguish edges, e1 e2, according their respective distances. An (EMD), dime(G), size. This study aims explore (EMD) H-Naphthalenic Nanotube.

In molecular topology and chemistry, resolving sets metric bases are essential concepts. They have numerous applications in computer science, artificial intelligence, pharmacy, traffic networking, mathematical modeling, programming. Adivision S of the vertex set χ a linked graph G is said to resolve if eachpoint can be represented from its neighborhood S. A dimension number smallest set, also known as basis graph.In current research we will determine circumcoronene series CS benzenoid Hk for...

In this study, we delve into the evaluation of graph entropy through lens topological properties inherent in crystallographic structures. Specifically, focus on structure TiF2[i,j,t] (Figure 1). By employing various indices to compute entropies TiF2[i,j,t]. This comprehensive approach allows for a deeper understanding characteristics particular structure, offering insights its properties.

Topological indices are numerical parameters associated with underlying topology of a molecular structure. They correlated several physio-chemical properties chemical compounds. Recently, Euclidean metric based topological index has been introduced named as Sombor index. Therefore, in this article, we will discuss combinatorial aspects and compute index, average the reduced line graph silicate carbides Si2C3-I[p, q].

Mathematical topological characterization of chemical graphs gives information about some physical properties molecules. Classical degree based indices copper oxide have been recently calculated. Ve-degree and Ev-degree newly defined in graph theory. In this study we investigate ve-degree oxide. We calculate Zagreb Randić

In this paper, we computed the topological indices of pent-heptagonal nanosheet. Formulas for atom-bond connectivity index, fourth Randić sum-connectivity first Zagreb second augmented modified hyper geometric-arithmetic fifth Sanskruti forgotten and harmonic index nanosheet have been derived.

Wp(G) is Wiener polarity index of the graph G that defined as numeral unordered pairs vertices which are at distance three in G. considered one classic topological indices and its properties have been widely studied for numerous graphs recent years. In currnt article an exact formula nanostar dendrimers computed.

A topological index is a real number which same under graph isomorphism and it derived from by mathematically. In chemical theory, molecular simple having no loops multiple edges in atoms bonds are represented vertices respectively. Topological indices defined on these structures can help researchers better understand the physical features, reactivity, biological activity. this paper, we compute general expressions of some degree based special named as mk-graph for positive integer k.

For connected graph G, the neighbourhood polynomial is defined as N(G, x) = ∑UϵN(G )x|U| ([4]) where (G) complex of a graph, whose vertices are and faces subsets that have common neighbor. Recently, Husin Hasni (2018) [8] compute for some families dendrimers. In this paper, we examine interested standard networks like silicate, hexagonal oxide networks.

The modified eccentric connectivity (MEC) polynomial of a molecular graph, G, is defined as (G,x) = nG(u) xecc(u), where ecc(u) the length maximal path connecting u to another vertex graph G and sum degrees its neighborhoods. MEC index first derivative this for x 1. pentagonal carbon nanocones are constructed from graphene sheet by removing 60° wedge joining edges produces cone with single defect at apex. In paper, we determine numerical method computing one-pentagonal nanocones.

Abstract Let G be a simple connected graph . The geometric-arithmetic index of is defined as <m:math xmlns:m="http://www.w3.org/1998/Math/MathML"> <m:mrow> <m:mi>G</m:mi> <m:msub> <m:mi>A</m:mi> </m:mrow> <m:mn>1</m:mn> </m:msub> <m:mo>(</m:mo> <m:mo>)</m:mo> <m:mo>=</m:mo> <m:mstyle> <m:mo>∑</m:mo> <m:mi>u</m:mi> <m:mi>ν</m:mi> <m:mo>∈</m:mo> <m:mi>E</m:mi> <m:mfrac> <m:mn>2</m:mn> <m:msqrt> <m:mi>d</m:mi> </m:msqrt> <m:mo>+</m:mo> </m:mfrac> </m:mstyle> </m:math> $\begin{array}{}...

Let G = (V, E) be a simple connected graph with the vertex and edge sets respectively, V(G) E(G). The hyper-Zagreb index of is defined as HM(G)= ∑uv∈E(G)(du + dv)2 over all edges uv G, where du denotes degree u G. In this paper, we calculate index, for organic linear Acenes molecules (C4n+2 H2n+4). Furthermore, find relationship between topological indices based on number rings prediction thermodynamic properties family such electron affinity, bond gap energy by using Topological Indices Method(TIM).

Let G be a simple connected molecular graph in chemical theory, then its vertices correspond to the atoms and edges bonds. Chemical theory is an important branch of such that there exist many topological indices it. The Narumi-Katayama index modified version G, denoted by NK(G) NK*(G) are equal product degrees G. In this paper we compute for some class carbon nanotube networks, dominating oxide network, silicate network regular triangulene network.

The harmonic index for connected simple graph G = (V, E) is defined as,where Qu a unique parameter which acquired from vertex u ∈ V(G). By this index, six other types of indices called novel are defined. first kind these was studied by Zhong considering to be the degree 2 as follow:The fifth type class can Qx Su:= ∑v∈N (u) deg(v) follows:.In paper, we will compute some Novel nonocones.

A chemical compound can be represented as a graph. topological index of (chemical) graph is numeric value which characterize its topology and usually invariant. The Zagreb indices, Randić sum-connectivity indices are useful in the study anti-inflammatory activities, boiling point, molecular complexity heterosystems certain instances, elsewhere. In this paper, we calculate mentioned some infinite classes prophyrin dendrimers.

The first and fifth Harmonic indices for simple connected molecular graph G have been introduced as , where . aim of this paper is computing the polyhex zigzag TUZC6[m,n] Nanotube Nanotori. We calculate harmonic planar nanotube PTUZC6[m,n] TUZC6[m,n].

A graph G is said to be edge-distance-balanced if for any edge uv of G, the number edges closer u than v equal u. Let GP(n, k) a generalized Petersen graph. It proven that integers t ≥ 5, GP(4t, 2) not edge-distance-balanced.