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Fig. 3 | Journal of Cheminformatics

Fig. 3

From: Exploring non-linear distance metrics in the structure–activity space: QSAR models for human estrogen receptor

Fig. 3

Performance of the GkNN model. Panel a ROC curves for the estimates of agonist activity of the evaluation set chemicals at different confidence values. Panels b, c agonist activities of the evaluation set chemicals estimated using the GkNN model versus those obtained from literature with more than 3 sources and more than 7 sources per chemical, respectively. Color indicates confidence level for each estimate

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Journal of Cheminformatics

ISSN: 1758-2946

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