The following open-source data sets are used: ChEMBL , UniProt (The UniProt Consortium, 2021), CTD . AACT is used as the principal source of clinical trials. For each of the single-molecule/drug trials, we find the DrugBank record, which provides the target(s). While a drug-target search is also done on CTD, the disease/condition that is the focus of a trial is matched with CTD, so it can be mapped to genes (targets) associated with the disease. The intersection of this disease-target list with the drug's targets list will provide the final drug-target list of interest. This is then used to query ChEMBL to get the respective drug-target activity values. Finally, the drug's chemical properties are calculated using RDKit .