Figure 8
From: Optimal assignment methods for ligand-based virtual screening
Chemotype enrichment and "scaffold-hoppings" on p38. The left figure visualizes the chemotype enrichment of the four optimal assignment methods, the MACCS keys, and the random performance on the p38 data set. A chemotype is considered as retrieved if one structure of the chemotype is ranked. The right figure shows five different chemotypes that were only retrieved by the 2SHA method ranking 25% of the data set.