Scientific Credibility

Model Cards

One card per toxicity endpoint, following the Mitchell et al. (2019) model card format and TRIPOD-AI reporting guidelines. Every figure below is transcribed from the backend's own docs/model_card.md — nothing here is estimated or inferred.

Hepatotoxicity

AUC 0.79 (scaffold-split)

Nephrotoxicity

AUC 0.87 (scaffold-split)

Ames Mutagenicity

AUC 0.85 (scaffold-split)

Skin Sensitization

AUC 0.80 (scaffold-split)

hERG Cardiotoxicity

R² 0.38 (scaffold-split)

Cytotoxicity

AUC 0.92 (scaffold-split)

Reproductive Toxicity

AUC 0.59 (scaffold-split) · excluded from integrated score

Dataset Cards →Validation Hub →