TOPKAT - Training

Audience - TOPKAT Training

This training course is designed for chemists, biochemists and biologists from any organization who want to compute and validate assessments of the toxic and environmental effects of chemicals solely from their molecular structure.

On completion of the workshop the user will have covered:

• The TOPKAT interface and menu organization
• How toxicity values are computed in TOPKAT
• Entering molecular structures using the Smiles entry form
• Use of the Work Screen
• Use of the Descriptor contribution window
• Use of the Univariate analysis window
• Use of the Search dialog box and search results
• Interpretation of results from TOPKAT
• Assessing the results when all validation criteria are satisfied.
• Examining a query that contains fragments not represented in the training set
• Analysis of a query that lies outside the optimum prediction space.
• Analysis of a model hypothesis that is refuted
• Use of TOPKAT for routine toxicological assessments of compounds.