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Fig. 9 | Journal of Cheminformatics

Fig. 9

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. 9

Feature importance analysis. Importance values for a ECFP4 and b 85-bit IFP features are reported for different numbers of training set samples (i.e. active learning iterations). In a and b, only features with a median importance of at least 20% and 10% of the maximum are shown, respectively. Importance values are color-coded as indicated. In a, the five features with largest median values across all iterations are shown in the insert at the bottom

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Journal of Cheminformatics

ISSN: 1758-2946

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