Fig. 3From: Probabilistic Random Forest improves bioactivity predictions close to the classification threshold by taking into account experimental uncertaintyPercentage of sphere excluded inactive molecules included in the inactive molecule datasets of models across the three different bioactivity thresholds. Statistics show that the putative inactive compounds (calculated with sphere exclusion) account for up to 20% of the total inactive compounds for the majority of the targets that contain putative inactive compoundsBack to article page