QSPR Analysis of Some Novel Drugs Used for Cardiovascular Diseases through Degree-Based Topological Indices and Regression Models

Abstract Degree-based topological indices play a significant role in Quantitative Structure-Property Relationship (QSPR) analysis, to predict the properties and potential efficacy of novel drugs used in heart failure treatment. These indices are mathematical representation of molecular structures which are based on the degree of atoms within a molecule. In this paper, Degree-based topological indices are used in QSPR analysis of novel drugs for heart failure treatment. This analytical approach provides a valuable insight into the effectiveness and safety of these medications. Moreover, it can help researchers to identify promising novel drugs for heart failure treatment, while minimizing the risk associated with drug development. It can contribute to design medicines with improved therapeutic efficacy and ultimately lead to better outcomes for heart failure patients. This paper focuses on the computation of seven degree-based topological indices and QSPR analysis for eight heart failure drugs (Pentoxifylline, Prasugrel, Dabigatran, Nebivolol, Ezetimibe, Enalapril, Irbesartan and Nicorandil) to Correlate four physicochemical properties (Complexity, Molar volume, Reactivity and Molecular Weight). By correlating the topological indices with experimental biological properties, we can identify key molecular features that can contribute to the drug's effectiveness in treating heart failure.