Bone Toxicity Dataset
Dataset Overview
This dataset is curated for bone toxicity research, containing experimentally validated molecules and toxicity labels for model training and evaluation.
Dataset Statistics
1,163
Total Molecules
563
Toxic Molecules
600
Non‑toxic Molecules
48.4%
Toxicity Rate
Features
Experimental Validation
All data are experimentally validated to ensure quality.
Balanced Classes
Balanced toxic vs non‑toxic counts to avoid bias.
Multi‑dimensional Labels
Includes structure, physicochemical properties and toxicity levels.
Quality Control
Rigorous QC procedures for accuracy and consistency.
Data Format
CSV
Standard CSV with columns:
- SMILES: molecular structure string
- Label: Toxicity (0 = non‑toxic, 1 = toxic)
Download
Full Dataset
Includes all 1,163 molecules
Usage Notes
Free for academic use
Commercial use requires permission
Please cite the source
Periodic data updates