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Use ToxCreate to build a (Q)SAR model

Facilitated by Christoph Helma and David Vorgrimmler


Description of Activity:

During the workshop, participants will go through the following steps:

 

  1. Create a model using the ToxCreate application.
  2. Inspect the model and get validation results
  3. Make a prediction

 

Datasets: Datasets will be provided to the users. Participants can also try their own datasets with structures in SMILES format. Instructions for creating datasets can be found at www.toxcreate.org/help

 

 

Necessary Software:

Browser with JavaScript activated (necessary) and Java installed (optional).

Handout: Table B - Use ToxCreate to build a (Q)SAR model (pdf)

 

Complete the evaluation form following this link: Evaluation Form
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