Figures & data
Figure 1. Flow chart for the QSAR work conducted in this analysis.
Table 1. QSAR models derived from polynomial and factorial methods.
Table 2. Summary of the QSAR results derived from the present study.
Figure 2. Observed and predicted activity of (A) training set, (B) test set.
Figure 3. Randomization analysis results of the study (trial one represent the original R2 values of the models).
Table 3. Summary of MD-derived from all models using different validation techniques.
Figure 4. Graphical representation of MD obtained from different studies.
Table 4. Mahalanobis distances of the test set compounds.