Symmetry is a widespread phenomenon that can offer opportunities for powerful exploitation in areas as diverse as molecular chemistry, pure mathematics, circuit design, biology and architecture. Graphs are an abstract way to represent relational structures. The search for symmetry in many contexts can thus be reduced to the attempt to find graph automorphisms. Brendan McKay’s NAUTY system (McKa...

The Bertz indices, derived by counting the number of connecting edges of line graphs of a molecule were used in deriving the QSPR models for the physicochemical properties of alkanes. The inability of these indices to identify the hetero centre in a chemical compound restricted their applications to hydrocarbons only. In the present work, a novel molecular descriptor has been derived from the w...

A graph is textit{symmetric}, if its automorphism group is transitive on the set of its arcs. In this paper, we  classifyall the connected cubic symmetric  graphs of order $36p$  and $36p^{2}$, for each prime $p$, of which the proof depends on the classification of finite simple groups.

The energy of signed graph is the sum of the absolute values of the eigenvalues of its adjacency matrix. Two signed graphs are said to be equienergetic if they have same energy. In the literature the construction of equienergetic signed graphs are reported. In this paper we obtain the characteristic polynomial and energy of the join of two signed graphs and thereby we give another construction ...

The minimum crossing number problem is among the oldest and most fundamental problems arising in the area of automatic graph drawing. In this paper, eight population-based meta-heuristic algorithms are utilized to tackle the minimum crossing number problem for two special types of graphs, namely complete graphs and complete bipartite graphs. A 2-page book drawing representation is employed for ...

Neural networks that compute over graph structures are a natural fit for problems in a variety of domains, including natural language (parse trees) and cheminformatics (molecular graphs). However, since the computation graph has a different shape and size for every input, such networks do not directly support batched training or inference. They are also difficult to implement in popular deep le...

The basic functional equations for connected and 2-connnected graphs can be traced back to the statistical physicists Mayer and Husimi. They play an essential role in establishing rigorously the virial expansion for imperfect gases. We first review these functional equations, putting the emphasis on the structural relationships between the various classes of graphs. We then investigate the prob...

Abstract The blood flow inside a tube with multi-thromboses is mathematically investigated. existence of these multiple thromboses restricts the in this and revamped by using catheter. This non-Newtonian problem modeled for Jeffrey fluid. energy equation includes notable effect viscous dissipation. We have calculated an exact solution developed mathematical governing equations. These equations ...

Molecular descriptors are essential in mathematical chemistry for studying quantitative structure–property relationships (QSPRs), and topological indices a valuable source of information about molecular properties, such as size, cyclicity, branching degree, symmetry. Graph theory has played crucial role the development dominating parameters descriptors. A molecule graph, under graph isomorphism...

Topological indices are mathematical descriptors for molecular structures. These used to describe physico-chemical properties such as solubility, shape and weight. In this paper, we present distance-based topological Wiener index hyper-Wiener by using Hosoya polynomial inverse graphs associated with finite cyclic group. Also, have found eccentricity based of