Molecular networks via reduced reverse degree approach.

Abstract

Porphyrazine and tetrakis porphyrazine are examples of organic compounds with complicated structures of rings. Physicists and chemical researchers have been interested in these structures because of their highly conjugated systems, which lead to peculiar optical and electrical characteristics. These structures are the fundamental components of molecular electronics, sensors, functional materials, and catalysis, among other scientific fields. The idea behind modeling molecules as networks is to calculate the topological index, where atoms are nodes and bonds are links. We can use multiple techniques and algorithms to calculate the topological index. We have used the reduced reverse degree-based approach for estimating the topological indices of the Porphyrazine and Tetrakis porphyrazine structures. The purpose of calculating the reduced reverse degree-based topological indices is to quantify the molecular topology of the mentioned structures. In future research, we can also use these indices in SAR/QSAR modeling of porphyrazine and tetrakis porphyrazine. These indices can also provide comparative analysis and descriptors for predicting chemical behavior, which is useful in material science applications and drug designs. In this study, we present a formula for calculating reduced reverse degree-based topological indices for porphyrazine and tetrakis porphyrazine, including the reduced reverse geometric arithmetic index, reduced reverse general Randić index, reduced reverse Balaban index, reduced reverse redefined Zagreb index, reduced reverse forgotten index, reduced reverse hyper-Zagreb index, and reduced reverse atom-bond connectivity index. Before the conclusion, there is a graph-theoretical analysis and comparison to ascertain the essential significance and validate the obtained results. This research helps to create novel materials for a variety of applications and sheds light on the structural and chemical characteristics of these molecular networks.