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Fig. 6 | Journal of Cheminformatics

Fig. 6

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. 6

Active learning performance. The MCC values for a compound pool and b test set predictions are reported for different representations using entropy-based (left) and random (right) selection of training samples. In b, shaded areas of each curve indicate standard deviations of different prediction trials

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Journal of Cheminformatics

ISSN: 1758-2946

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