Downloads
You can download all structured data for molecules, fragments, and targets below in CSV or SDF format. All data was originally sourced from the ChEMBL database and processed using cheminformatics workflows with RDKit.
In the future, we intend to extend FragmentSAR with synthetic route suggestions and enriched SAR annotation tools.
| Dataset | Description | Download |
|---|---|---|
| Molecules | All molecules with ChEMBL IDs, SMILES, and target/fragments mapping. | CSV SDF |
| Fragments | Fragment SMILES, frequency counts, and linked molecules. | CSV |
| Targets | Protein targets, ChEMBL IDs, organism and associated bioactivity data. | CSV |