Knowledge Fair Table G - Validate your QSAR Model and Create a Report for Developers
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:
- Mozilla Firefox: http://www.mozilla.com/firefox, a web browser.
- Java 6, with web start enabled : http://www.oracle.com/technetwork/java/javase/downloads/index.html
- curl: http://curl.haxx.se/download.html, a command line tool for accessing the OpenTox API. You have two options on Windows for this:
- Install curl natively. You may want to use this version.
- For more convenience, consider installing VMWare Player and run a small Linux environment under Windows! Just double-click the dsl-4.1.vmx file.
Handout:
