Dr. Syed Sheraz Asghar

Basic Information

Brief Statement of research work

Topological indices are numerical graph invariants that translate molecular structure into mathematical descriptors for Quantitative Structure-Property Relationship (QSPR) studies. My research focuses on analyzing vertex-degree and distance-based topological indices for chemical graphs, particularly hexagonal structures like fullerenes. The primary objective is to establish robust correlations between these indices and physicochemical properties of bioactive compounds using regression analysis. By modeling how structural variations influence molecular behavior, this work aims to validate topological indices as efficient predictive tools for pharmaceutical design. These mathematical descriptors enable in silico screening of drug candidates, reducing reliance on exhaustive synthesis while accelerating the discovery of compounds with optimized properties.