In this model, n represents the number of compounds contributed to build the model. The R value is the correlation coefficient; the closer R is to 1, the better the goodness of fit of the equation. 39 The Fcalc/Fdining table value represents the ratio between the variance of the calculated and tabulated values and, therefore, indicates that the regression relationships were statistically significant and did not occur by chance. Q2 serves as a criterion of robustness and predictive ability of the regression equation. The high Q2 value (>0.5) suggests the model’s ability to give an accurate prediction. The low s (the standard error of estimates) and SPRESS values suggest that the model is statistically significant for activity prediction. 39
This new r value of 0.976 of design six shown there are a robust correlation involving the separate parameters (descriptors) and you will cytotoxic activities of xanthones. We verified one 97.6% of your changed cytotoxic activity of the analyzed xanthones is caused of the modification regarding qC1, qC2, qC3, moment dipole, and you can logP. These conclusions had been strongly related a previous investigation that revealed that architectural modification of one’s fragrant ring C, specifically during the C1 and C2 positions, predicted improve of the cytotoxic activity of xanthone ingredients. Continue reading