27: QSAR Toolbox: Automated workflow for predicting skin sensitisation

This tutorial demonstrates the automated workflow for predicting skin sensitisation using the QSAR Toolbox. Automated workflows streamline the process of generating reliable toxicological predictions based on predefined algorithms. The video provides a detailed overview of the prediction algorithm, covering steps like profiling, abiotic and biotic transformations, database selection, and data gap filling.

You will learn how to run the workflow for a single chemical or a batch of chemicals, adjust workflow parameters, and interpret prediction results. The tutorial focuses on predicting endpoints such as EC3 values and results from guinea pig and mouse tests. For those interested in aquatic toxicity prediction, a separate video is available.

Note: The tutorial also offers guidance on handling large datasets and avoiding memory issues during predictions.

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