During dataset curation, 47 duplicate SMILES were identified. Manual revision of the IC50 inhibitors enabled the removal of duplicate data, and taking in consideration the most frequently repeated biological assays shown in Figure (e.g., CHEMBL3625533, CHEMBL4182166, CHEMBL3705478, CHEMBL677574, CHEMBL3705387, CHEMBL3365684, and CHEMBL677570), each differing in detection methods e.g., spectrometry or fluorescence. Undetermined IC50 values of 10 µM were not considered. 12% Compounds exceeding 500 Da and pIC50≤4.0 were also excluded to ensure compliance with Lipinski's and Veber's rules. This curation strategy was essential given the high sensitivity of the data for our predictions with ML models, focusing on drug-like inhibitors, yielding 217 compounds for STADS.