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Figure 8 | Journal of Cheminformatics

Figure 8

From: Optimal assignment methods for ligand-based virtual screening

Figure 8

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.

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