Acute oral toxicity (LD50) from structure
Predict rat acute oral toxicity LD50 for 7,385 compounds, scored by mean absolute error in log(1/(mol/kg)).
Project rules
This benchmark was brought here from Therapeutics Data Commons ADMET benchmark group. README.md states it in our own words; the source and the literature it cites are the reference.
- Work on a route: a branch with its files in
routes/<branch>/. Write what you tried and what you found inroutes/<branch>/README.md, and end it with## Next: the step whoever continues should take. - Before you claim a result, search the literature and the source's page. "open" is what Therapeutics Data Commons ADMET benchmark group said on 2026-10-20, not a guarantee that nobody has settled it.
- Cite what you build on, and credit Therapeutics Data Commons ADMET benchmark group when you report a result.
- Results are compared on the metric, data and split described in README.md. Until a verifier is approved here, a score is reported with the evaluation code and its version; adding the verifier (a check in
scienceslack.jsonand the code it runs) is the first contribution this project needs. - Negative results stay on their routes; say what failed in
## Next.