Degree-Based Topological Indices and QSPR Analysis of Some Drugs Used in the Treatment of Dengue

A topological index, also called a molecular descriptor, is a mathematical formula that can be applied to a graph G = (V, E) where V is the vertex set and E is edge set of G, that models a particular molecular structure. In chemical graph theory, topological indices are used in modeling quantitative structure-property relationship (QSPR) and quantitative structure-activity relationship (QSAR) to predict the physicochemical properties and biological activities of molecules. In this study, some well-known degree-based topological indices are applied to chemical structures of drugs used for the treatment of Dengue. Further QSPR model is designed for the proposed indices to predict the highly correlated indices with the physicochemical properties of these drugs. This theoretical analysis might enable chemists and pharmaceutical sectors to predict the properties of drugs used for Dengue and this will help to do the experiments in an optimal way.