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Fig. 3 | Journal of Cheminformatics

Fig. 3

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. 3

Permutation tests. For predictions on test sets, MCC value distributions are shown for RF models trained with randomized class labels using different representations. The vertical dashed line indicates MCC = 0 and the solid colored lines mark model performance for the same individual trial

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