Topological indices of drug molecular structures: An application with the treatment and prevention of Covid-19

Abstract

This paper presents a comprehensive analysis of the role of topological indices andcentrality measures in predicting the chemical properties of molecules, with a specific focus on sixdrugs known for their effectiveness in treating corona. The molecular structures of these drugs werecarefully examined, and a range of topological indices were calculated. Utilizing regression analysistechniques, we reveal significant relationships between the chemical parameters of the drugs and twospecific indices, namely ISI5 and ISI6, as well as various centrality measures.