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Figure 9 | Journal of Cheminformatics

Figure 9

From: Reliable estimation of prediction errors for QSAR models under model uncertainty using double cross-validation

Figure 9

Artemisinin data: Variability of the prediction error estimates. Variability of the error estimates derived from the outer loop (ave.vb (PE )) for different test data set sizes in the outer loop and for SA-kNN in combination with different cross-validation techniques in the inner loop (LOO-CV, CV -30% and CV -60%). Variability quickly decreases with increasing test set size.

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