Figure 12
From: CheS-Mapper 2.0 for visual validation of (Q)SAR models
Highlighting I C 50 values within the COX-2 dataset. The endpoint value of the COX-2 dataset is selected, showing the activity space (or landscape). A new function of CheS-Mapper has been used to modify the highlighting colors, using red for active compounds with low feature values and applying a log-transformation. Compounds with high feature values are located predominantly on the right-hand side. The selected cluster 7 includes many active compounds.