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In mathematical chemistry, the algebraic polynomial serves as essential for calculating the most accurate expressions of distance-based, degree-distance-based, and degree-based topological indices. The chemical reactivity of molecules, which includes their tendency to engage in particular chemical processes or go through particular reactions, can be predicted using topological indices. Considerable effort has been put into examining the many topological descriptors of simple graphs using ring structures and well-known groups instead of nonassociative algebras, quasigroups, and loops. Both finite quasigroups and loops are the generalizations of groups. In this article, we calculate topological descriptors and some well-known polynomials, M -polynomial, Hosoya's polynomial, Schultz's polynomial, and modified Schultz polynomial of finite relatively prime graphs of most orders connected with two classes of quasigroups and go through their graphical aspects. [ABSTRACT FROM AUTHOR]

Metal–organic frameworks (MOFs) are vital in modern material science, offering unique properties for gas storage, catalysis, and drug delivery due to their highly porous and customizable structures. Chemical graph theory emerges as a critical tool, providing a mathematical model to represent the molecular structure of these frameworks. Topological indices/molecular descriptors are mathematical formulations applied to molecular models, enabling the analysis of physicochemical properties and circumventing costly lab experiments. These descriptors are crucial for quantitative structure-property and structure-activity relationship studies in mathematical chemistry. In this paper, we study the different molecular descriptors of tetracyanobenzene metal–organic framework. We also give numerical comparison of computed molecular descriptors. [ABSTRACT FROM AUTHOR]

Topological indices are empirical features of graphs that characterize the topology of the graph and, for the most part, are graph independent. An important branch of graph theory is chemical graph theory. In chemical graph theory, the atoms corresponds vertices and edges corresponds covalent bonds. A topological index is a numeric number that represents the topology of underline structure. In this article, we examined the topological properties of prism octahedron network of dimension m and computed the total eccentricity, average eccentricity, Zagreb eccentricity, geometric arithmetic eccentricity, and atom bond connectivity eccentricity indices, which are used to utilize the distance between the vertices of a prism octahedron network. [ABSTRACT FROM AUTHOR]

A branch of graph theory that makes use of a molecular graph is called chemical graph theory. Chemical graph theory is used to depict a chemical molecule. A graph is connected if there is an edge between every pair of vertices. A topological index is a numerical value related to the chemical structure that claims to show a relationship between chemical structure and various physicochemical attributes, chemical reactivity, or, you could say, biological activity. In this article, we examined the topological properties of a planar octahedron network of m dimensions and computed the total eccentricity, average eccentricity, Zagreb eccentricity, geometric arithmetic eccentricity, and atom bond connectivity eccentricity indices, which are used to determine the distance between the vertices of a planar octahedron network. [ABSTRACT FROM AUTHOR]

In this work, we study the degree-based topological invariants, and the general sum-connectivity, A B C 4 , G A 5 , general Zagreb, G A , generalized Randić, and A B C indices of the line graphs of some rooted product graphs ( C n { P k } and C n { S m + 1 } ) are determined by menas of the concept of subdivision. Moreover, we also computed all these indices of the line graphs of the subdivision graphs of i-th vertex rooted product graph C i , r { P k + 1 } . [ABSTRACT FROM AUTHOR]