CHEMOMETRIC AND SIMILARITY BASED ANALYSIS OF DGAT-1 INHIBITORS.

0.84 was developed using stepwise MLR and a comparable PLS and FFNN model with r? (cv) = 0.89, 0.88 and 0.86 respectively. After the data reduction, five promising descriptors left were total dipole moment, Log P, VAMP total energy, VAMP LUMO and VAMP HOMO. In addition of QSAR modeling, Lipinski?s rule of five was also employed that check the pharmacokinetic profile of the model. The similarity (CARBO and HODGKIN) analysis was also done on the same series which positively support the previous results. The QSAR study reported in the present study provide important structural situation, related to anti-diabetic activity. Present study enlightens the path of determining the potent lead compounds of DGAT-1 antagonist. QSAR (Quantitative structure activity relationship) is a powerful and mathematical technique to set off the correlation in between chemical structure to their biological activity. It was performed on a series of amide-oxadiazole-aniline derivative with activity against DGAT-1 employing various physiochemical parameters like topological, lipophilic and electronic. The best model was generated and shows good correlative and predictive ability with values S = 0.33, F = 41.91, r = 0.94, r? = 0.88, r? (cv) =