Figure 7

Highlighting the endpoint of the Caco-2 permeability dataset. Selecting the endpoint feature shows the activity space (or landscape). The endpoint was not employed for 3D embedding. The depiction setting is set to the new depiction option Dots. The compound pirenzepine is selected (indicated with a blue box), the compound information including a 2D image of the compound is shown on the right-hand side. The compound forms an activity cliff, as its endpoint value differs from its neighbor compounds.