Figure 11
From: CheS-Mapper 2.0 for visual validation of (Q)SAR models
Visualizing the selected test set compounds of the Caco-2 dataset. The screen-shot shows the distribution of training and test compounds in the feature space. The 5 selected test compounds share in particular high values for radius of gyration (rgyr) and logD. As a result, both features are at the top of the feature list on the right-hand side.