Modeling benzene physicochemical properties using Zagreb upsilon indices Quantitative structure–property relationship (QSPR) frameworks leverage topological indices to model the physicochemical attributes of molecular structures. In this study, we introduce the concept of…

This study introduces Zagreb upsilon indices based on the #upsilon degree, showing that the second Zagreb upsilon index outperforms existing topological indices in predicting π-electron energy of #benzenes (r > 0.93). #QSPR

#OpenAccess in Open Chemistry: