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Build a QSAR

Build a Predictive QSAR Modeland Validate it

Build, validate and examine QSAR models with the ToxCreate application.

Description of Activity:
Based on provided datasets build and examine a QSAR model. You can also try your own dataset. Requirements: Browser with Java script activated, Java installed, Internet connection.


1. Create

Open your browser and go to You are logged in by default as “guest”, but it is also possible to use your own OpenTox account. Follow the instructions on the webpage. Click on bold and purple topics to get further information.

Upload training data in Excel or CSV format. You can use the sample data provided (a small hamster carcinogenicity dataset) as Excel or CSV file. If you want to use your own data follow the “instructions for creating training datasets” at

Please fill out the Evaluation Form.