A Statistical Comparison between Zagreb indices for correlation with toxicity predictions of natural products

Graph theory had wide applications in developing silico tools and it is widely used to calculate topological indices establish structural activity relations of chemicals/compounds. However, usage Zagreb with respect natural compounds activity/toxicity prediction needs more attention. Many available online are using atom bond connectivity index (ABC Index), first second indices. The the Hyper very rare neglected. In this context, three types (first index, hyper index) were calculated selected chemical products relation between these cytotoxicity established. We have IC50 Values Hela cell lines as an for from literature. correlation was performed R program, we reached conclusion that all correlate studied compounds. This study acts evidence prove that, correlates cytotoxicity/activity Further studies other Machine Learning verify findings will importance one method predict toxicity