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Fig. 3 | Journal of Cheminformatics

Fig. 3

From: SIMPD: an algorithm for generating simulated time splits for validating machine learning approaches

Fig. 3

Validation performance of random forest models on the NIBR medicinal chemistry project data sets. The black dashed line and right hand y-axis show the AUC values for the temporal splits. The gray triangles and blue squares show \(\Delta\) AUC values (left hand y-axis) for the random and neighbor splits, respectively. The points are ordered by decreasing temporal AUC values

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