The data is scaled with a min-max scalar to the range [0, 1]; this ensures each feature is in the same range. Next, to ensure the data is representative and that we work with samples with annotations that are amenable to interpretation, we plotted the number of clinical trials against the count of common targets (nCT) and inferred that nCT is less than 7 for most of the trials. This is shown in Section S7.4 of Supporting Information. Hence, for a meaningful design of the predictive models, we consider only the data for which nCT is less than or equal to 6 and contain nonblank ATC codes for the compound associated with a trial.