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Knowledge Fair Table A - Build a Predictive QSAR Model and Validate it

Posted by Sopasakis Pantelis at Sep 14, 2010 01:15 AM |

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:

 

  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 A Handout

 

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