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