Recent advancements in chemical graph theory have facilitated a deeper understanding of the relationship between chemical structures and their underlying graphs based upon classical graph theory principles. Quantitative structure−property relationship (QSPR) analysis stands out as a powerful tool for probing chemical graphs. Topological indices, graph invariants assigning numerical values to graphs, play a pivotal role in statistically correlating physical properties, chemical reactivity, and biological activity across diverse chemical structures. The cactus graph (CG) represents a noteworthy family of connected graphs distinguished by the absence of common vertices between cycles. In this study, we focus on establishing the expressions of Zagreb and reverse Zagreb indices in terms of known parameters for cactus graphs. Subsequently, we leverage these indices to conduct QSPR analysis, employing linear and multilinear regression models to investigate the relationship between the properties of chemical structures adorned with cactus-like graphs and the corresponding Zagreb and reverse Zagreb indices.