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Figure 5 | Journal of Cheminformatics

Figure 5

From: CheS-Mapper 2.0 for visual validation of (Q)SAR models

Figure 5

The COX-2 dataset is clustered into 7 clusters. The compounds are highlighted according to their cluster assignment. Cluster 3 is selected (as indicated by the box), and the a summary of feature values is shown on the right-hand side. Spheres are employed for highlighting (instead of changing the color of the structure).

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