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The description of benchmark dataset
| Data type | Data | Database | dimensionality |
|---|---|---|---|
| chemical | Chemical substructures | PubChem | 881 |
| Biological | Drug-targets | DrugBank | 780 |
| Drug transporters | DrugBank | 18 | |
| Drug enzymes | DrugBank | 129 | |
| Drug pathways | KEGG | 253 | |
| Phenotypic | Drug indications | SIDER | 4897 |
| Drug side effects | SIDER | 4897 | |
| Drug off side effects | OFFSIDES | 9496 | |
| Interaction | Drug-drug interactions | TWOSIDES | Drugs:548,DDIs:48,584 |
