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Fig. 5 | Journal of Cheminformatics

Fig. 5

From: Assessing the information content of structural and protein–ligand interaction representations for the classification of kinase inhibitor binding modes via machine learning and active learning

Fig. 5

Visualization of feature spaces. Scatter plots show 2D T-SNE representations of the IFP_85 (left) and ECFP4_folded (right) fingerprint spaces on the basis of Tanimoto distances. Inhibitors (dots) are color-coded according to binding modes: type I (blue), I½ (orange), and II (green)

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