Leap Zagreb indices of certain chemical structures: a topological analysis

Topological indices serve as important molecular descriptors in quantitative structure–property relationship (QSPR) and quantitative structure–activity relationship (QSAR) studies. In this work, we present a comprehensive topological analysis of four molecular structures based on the leap versions of several Zagreb indices. The mathematical formulations are accompanied by numerical evaluations and graphical illustrations, providing systematic insights into the structural properties of these chemical networks. The obtained analytical expressions provide structural descriptors that encode second-neighborhood information of the considered molecular networks and may support future QSPR/QSAR modeling and comparative structural analysis of nanostructures.