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

Document Type : Original Article


1 Department of Mathematics, Shahid Rajaee Teacher Training University, Lavizan, Tehran, I. R. Iran

2 Department of Mathematics, College of Science, University of Salahaddin/ ErbilIraqi Kurdistan Region, Iraq


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

Graphical Abstract

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


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Volume 8, Issue 2
July 2023
Pages 83-103
  • Receive Date: 05 June 2023
  • Revise Date: 12 June 2023
  • Accept Date: 20 June 2023
  • Publish Date: 01 July 2023