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Fig. 7 | Journal of Cheminformatics

Fig. 7

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. 7

Entropy-based versus random selection. For varying training set size, the MCC value difference between entropy-based and random selection is reported for test set predictions using different representations. Shaded areas of each curve indicate standard deviations of difference calculations between corresponding predictions

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Journal of Cheminformatics

ISSN: 1758-2946

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