Figure 3
From: CheS-Mapper 2.0 for visual validation of (Q)SAR models
Zooming in on compound pirenzepine . The compound is depicted using the wireframe setting. Compound features are listed on the right-hand side. Feature values for fROTB, caco2, and HCPSA are relatively low and therefore colored in blue. The fROTB value of pirenzepine differs the most from the values in the entire dataset, therefore this feature is ranked at the top.