Model: Rat toxicity prediction with Predictive Clustering Trees

The (Q)SAR model predicts various rat toxcitiy endpoints. The data set includes compounds that have been tested in repeated dose toxicity studies with subacute or subchronic duration and oral or inhalation application.
The RepDose Database contains publically available repeated dose toxicity data of industrial chemicals.
The Neustoff Database comprises new confidential industrial chemicals registered in Europe between 1982 and 2008 selected from the European List of Notified Chemical Substances (ELINCS) which have been tested in subacute or subchronic studies. The full ELINCS database is available to European Competent Authorities.

Model documentation:

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

Recent performed predictions: