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Figure 4 | Journal of Cheminformatics

Figure 4

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

Figure 4

Highlighting logD feature values in the Caco-2 permeability dataset. The compound color has changed according to the feature value. Compounds with similar logD values are located close to each other in 3D space, as this feature was used for 3D embedding. The compound list at the left-hand side shows the logD value for each compound and the list is sorted according to the logD value. A histogram depicting the feature value distribution in the dataset is on the bottom right-hand side.

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