Fig. 2

Schematic representation of how pChEMBL value is converted into the ideal y-label probability using cdf with different bioactivity thresholds and standard deviation (SD) values. The case when SD is 0 corresponds to traditional RF
Schematic representation of how pChEMBL value is converted into the ideal y-label probability using cdf with different bioactivity thresholds and standard deviation (SD) values. The case when SD is 0 corresponds to traditional RF