Knowledge Fair Table A - Build a Predictive QSAR Model and Validate it
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Sopasakis Pantelis
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Sep 14, 2010 12:15 AM
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Participants in this table will build, validate and examine QSAR models with the ToxCreate application.
OpenTox facilitators: Christoph Helma, Harry Sarimveis, David Vorgrimmler, Om Prakash
Duration: 1 hour
Description of Activity:During the workshop, participants will go through the following steps:
- Create a model using the ToxCreate application.
- Inspect the model and get validation results
- 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 A Handout
