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Knowledge Fair Table G - Validate your QSAR Model and Create a Report for Developers

Posted by Andreas Karwath at Sep 14, 2010 01:45 PM |

Participants in this table will validate algorithms and generate QMRF reports using curl.

OpenTox facilitators: Andreas Karwath, Martin Gütlein, Sunil Chawla

Duration: 45 minutes

Description of Activity:

 

In this knowledge fair, we will demonstrate how to effectively use the validation and reporting web services behind the applications of ToxPredict and ToxCreate. Using curl calls, we will contact the web services and validate a model or algorithm using a number of different approaches such as k-fold split, training-test-split, or bootstrapping. Furthermore, we will generate a QMRF report and visualize it using the QMRF Editor web start application. This knowledge fair table is aimed at developers, who want to look behind the scenes.

Datasets: Datasets will be provided 

Necessary Software:

Please download and install the following software, if you bring your laptop:

 

 Handout:

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