QSPR analysis of anti-hepatitis prescription drugs using degree based topological indices through M-polynomial and NM-polynomial
Adnan Asghar · Chimica Techno Acta · 2025
Chemical graph theory plays a vital role in pharmaceutical research, particularly in the study of antiviral drugs such as those targeting hepatitis. This paper investigates the application of topological descriptors, including M-polynomials and NM-polynomials, to compute degree-based topological indices for eight anti-hepatitis prescription drugs. The study aims to establish correlations between these indices and the physicochemical properties of the drugs, facilitating a deeper understanding of their structural characteristics and potential therapeutic effects. This research uniquely integrates degree-based topological indices and advanced QSPR modelling to elucidate correlations between molecular structures and their therapeutic efficacy. The findings offer significant insights into anti-hepatitis drug design, reducing experimental reliance.