A series of forty Mannich bases of glutarimides with sulfonamides and secondary amines were synthesized and evaluated in vitro against six pathogenic Grampositive and Gram-negative bacteria. The synthesized Mannich bases were characterized by elemental and spectral analysis. The modeling anti-bacterial activities of these newly synthesized Mannich bases against six bacteria was attempted employing 1 H NMR chemical shift, physicochemical properties and topological indices as the correlating parameters. Our results, based on Quantitative Structure-Activity Relationships (QSARs), have indicated that statistically significant models are obtained for modeling the anti-bacterial activities The results are discussed critically using a variety of statistical parameters.
Present paper deals with the examination of Balaban F and G indices for estimating (13)C NMR chemical shift sums of alkanes. Set of 66 alkanes were used for this purpose, which have been divided into training set (50 compounds) and test set (16 compounds). The results have shown that Balaban G Index along with connectivity indices yields the best model. The model is analyzed for the defect due to colinearity using Ridge parameters. The most appropriate model is a three-parametric model found containing [Formula: see text], [Formula: see text], and G as correlating parameters. The results have been critically examined based on variety of statistical parameters.
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