Structure-based topological descriptors of chemical networks enable us the prediction of physico-chemical properties and the bioactivities of compounds through QSAR/QSPR methods. Topological indices are the numerical values to represent a graph which characterises the graph. One of the latest distance-based topological index is the Mostar index. In this paper, we study the Mostar index, Szeged index, PI index, index, and index, for chain oxide network , chain silicate network , ortho chain , and para chain , for the first time. Moreover, analytically closed formulae for these structures are determined.

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 physical chemical properties of primary chemical compounds. The biological activity of chemical compounds can be constructed by the help of topological indices. In theoretical chemistry, numerous chemical indices have been invented, such as the Zagreb index, the Randić index, the Wiener index, and many more. Hex-derived networks have an assortment of valuable applications in drug store, hardware, and systems administration. In this analysis, we compute the Forgotten index and Balaban index, and reclassified the Zagreb indices, $AB{C}_4$ index, and $G{A}_5$ index for the third type of hex-derived networks theoretically.

Recently, increasing attention has been paid to The Optical Transpose Interconnection System (OTIS) network because of its prospective applications in architectures for parallel as well as distributed systems [27, 28]. Different interconnection networks in the context of topological indices are researched recently in [25, 26]. This article includes the computions of the general Randi´c, first and second Zagreb, general sum connectivity, first and second multiple zagreb, hyper zagreb, ABC and GA indices for OTIS (swapped and biswapped) networks by taking path and k-regular graph on n vertices as a base graphs. In addition, some delicated formulas are also obtained for the ABC₄ and GA₅ indices for the OTIS biswapped networks by considering basis graph as a path and k-regular graph of order n.

In theoretical chemistry, the numerical parameters that are used to characterize the molecular topology of graphs are called topological indices. Several physical and chemical properties like boiling point, entropy, heat formation, and vaporization enthalpy of chemical compounds can be determined through these topological indices. Graph theory has a considerable use in evaluating the relation of various topological indices of some derived graphs. In this article, we will compute the topological indices like Randić, first Zagreb, harmonic, augmented Zagreb, atom-bond connectivity, and geometric-arithmetic indices for chain hex-derived network of type 3 CHDN3(m,n) for different cases of m and n. We will also compute the numerical computation and graphical view to justify our results.Mathematics Subject Classification: 05C12, 05C90

In chemical graph theory, a topological index is a numerical representation of a chemical network, while a topological descriptor correlates certain physicochemical characteristics of underlying chemical compounds besides its chemical representation. The graph plays a vital role in modeling and designing any chemical network. Simonraj et al. derived a new type of graphs, which is named a third type of hex-derived networks. In our work, we discuss the third type of hex-derived networks $HDN3(r)$ , $THDN3(r)$ , $RHDN3(r)$ , $CHDN3(r)$ , and compute exact results for topological indices which are based on degrees of end vertices.

In quantitative structure property (QSPR) and quantitative structure activity (QSAR) relationships studies, topological indices are utilized to associate the biological activity of underline structures with their physical properties like strain energy, distortion, melting point, boiling point, and stability, etc. In these studies, the degree based topological indices have obtained center position between various kind of descriptors, due to the simplicity of finding and the rapidity with which these estimations can be accomplished. In this paper, we compute the general Randic, first and second Zagreb, Atom Bond Connectivity(ABC) and Geometric Arithmetic(GA) indices of the $2D$ structures of trans-$\mathit{Pd}-({\mathit{NH}}_2)S$ lattice and a metal–organic superlattice. Furthermore, we present the precise formulas of the fifth version of Geometric Arithmetic index and the fourth version of Atom-Bond Connectivity index of these lattices.