Model: Carcinogenicity prediction with Ensemble of Classifier Chains

The modeled data is the Carcinogenic Potency Database (CPDBAS, provided by the EPA: http://www.epa.gov/ncct/dsstox/sdf_cpdbas.html). It includes 7 binary carcinogenicity endpoints.

Model documentation:

Make compound prediction (insert one SMILES or InCHI per line):

Recent performed predictions: