Toxicity Prediction

Toxicity Prediction
Predict the Toxicity of
a Compound with ToxPredict

This tutorial demonstrates the OpenTox toxicity prediction application ToxPredict, which accepts chemical structures and names as input and automatically generates a toxicity report based on various precalibrated toxicity models.

Drug Discovery III

A tutorial on a potential application of the OpenTox Framework in drug discovery, gathering prediction data for a large set of compounds to be used in a Weight of Evidence approach. In this workshop exercise we will take a look at how OpenTox can be used in a Drug Discovery application to prioritize drug candidates according to their predicted toxicities.


This tutorial features a hands-on session with Bioclipse and the Decision Support feature together with the recently developed OpenTox plugin. Users will modify chemical structures with the aim to overcome chemical liabilities.