Structure-Activity Relationships and Quantitative Structure-Activity Relationships Modeling of Some 3-(aryl)-N-(aryl)-1,2,4-Oxadiazol-5-Amine Derivatives as Anti-Proliferative Agents

Quantitative structure activity relationship studies were performed on a series of 3-(aryl)-N-(aryl)-1,2,4-oxadiazol-5-amines as anti-proliferative agents, multiple linear regression analysis was performed to derive quantitative structure activity relationship models which were further evaluated internally for the prediction of activity. The developed models were cross-validated by the 'leave one out' technique as well as by the calculation of statistical parameters. The best QSAR model i.e., model-2 (R-2 = 0, 906, Fischer's test value F = 12, 066) has acceptable statistical quality and predictive potential as indicated by the value of cross validated squared correlation coefficient (q(2) = 0.907). The present investigation indicates the importance of the quantum chemical descriptors, constitutional descriptors and hydrophobicity to study the anti-proliferative activity.