Spectrum‐Based Topological Indices and Their QSPR Studies of Nonsteroidal Anti‐Inflammatory Drugs

ABSTRACT Spectrum‐based topological indices (eigenvalue‐based topological indices), a valuable tool for analyzing molecular structure. These topological indices are metrics that reflect the inherent characteristics of chemical substances, were employed in conjunction with quantitative structure‐property relationship (QSPR) to investigate nonsteroidal anti‐inflammatory drugs (NSAIDs) which are used toalleviate or eliminate pain sensations in affected areas. We have to use mathematica to compute various eigenvalue‐based indices and utilized statistical software to identify correlations between these indices and key physical properties of NSAIDs. The analysis revealed that specific indices, including index, index, index, and index exhibited strong associations with properties like complexity and refractivity, boiling point, polarity, and molar weight, respectively.