Quantitative structure-activity relationship

QSAR analysis on a set of heterocyclic derivatives for antifungal activity was performed by using multiple regression procedure. The activity contribution of these compounds was determined from regression equation and the validation procedure to analyze the predictive ability of QSAR model was described. High agreement between experimental and predicted inhibitory values was obtained. The results of this study indicate that the parameter has a significant effect on antifungal activity of this class of compounds, thus simplifying design of new biologically active molecules.