Prediction of Physicochemical Properties of Alkanes Using Multilinear QSPR Models Based on the Eccentricity Zagreb Index and V L-Index

Topological indices are important mathematical descriptors that facilitate the quantitative correlation between molecular structures and their physicochemical properties or chemical reactivity. In this study, quantitative structure–property relationship (QSPR) models are developed to predict selected physicochemical properties of alkanes using the eccentricity-based first Zagreb index and the V L-index. The relationship between the molecular structures of alkanes and these eccentricity-based topological indices is systematically analyzed through multilinear regression techniques. The obtained results indicate that the eccentricity Zagreb index and the V L-index act as reliable molecular descriptors and provide effective predictive capability for the physicochemical properties of lower alkanes. These findings demonstrate the potential applicability of eccentricity-based topological indices in QSPR modeling and molecular property prediction.