Figure 5.

Shown is a section of the PC network formed by multiclass ligands and non-promiscuous or consistently inactive compounds. Nodes represent compounds and edges pairwise PC relationships. Blue nodes are multiclass ligands. A PC pathway formed by a sequence of alternating highly promiscuous and consistently inactive compounds is traced using a black line and the structures of pathway compounds (1–7) are displayed. Structural modifications distinguishing pairs of pathway compounds are colored blue. Below each compound, its PD value is given in a color-coded circle. The pathway contains two PHs (1 and 5) whose compound neighborhoods are highlighted.