demo/hiv_protease_activity_sample.csv is a bounded, reproducible portfolio sample derived from public ChEMBL records for target CHEMBL243.
Inclusion rules: standardized exact IC50 values in nanomolar units, valid structures, and median pActivity aggregation for duplicate canonical SMILES. The raw API response used to build the sample is retained under external/ for provenance.
ChEMBL data are made available under the Creative Commons Attribution-ShareAlike 3.0 license. Consult ChEMBL's current terms before redistribution or production use.