SMILES-ADR Dataset: Chemical compounds with annotated adverse drug reactions

This dataset contains chemical compounds represented as SMILES (Simplified Molecular Input Line Entry System) strings paired with annotated Adverse Drug Reactions (ADRs). Each compound is labeled with specific ADRs including scleral hyperaemia, skin exfoliation, osteoarthritis, arrhythmia supraventricular, anaphylactoid syndrome of pregnancy, and mediastinal disorder.<br>**Dataset Structure:**- `smiles`: SMILES representation of chemical compounds- `adr`: Specific adverse drug reaction annotation- `label`: Binary or categorical label (0/1 in provided sample)<br>**Potential Applications:**- Machine learning for ADR prediction- Cheminformatics research- Drug safety assessment- Pharmacovigilance studies<br>**Related Fields:** Computational chemistry, toxicology, pharmacoepidemiology, drug discovery