The OpenTox framework can be of use in a drug discovery environment in different ways. This tutorial illustrates two potential use cases: 1) using predictive toxicology models in OpenTox to prioritize compounds in a drug discovery application, and 2) using the OpenTox model building functionality to create models predicting protein inhibitor activity.
Drug Discovery II
If you inspect the TCAMS dataset closely, you will find a column called "Target Hypothesis". You will also find that this column is empty for most columns. The Tres Cantos group of GlaxoSmithKline have analyzed the TCAMS compounds if they were identified as hits in previous experiments.