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How important is expert review when measuring EC3 predictions in Derek Nexus?: Alkyl halides - a case study

pdf fileMacmillan D; Johnston LA; Chilton ML; de Smedt A;

Despite the success of both the LLNA and GPMT to correctly identify sensitising chemicals, a significant amount of recent research has sought to develop non-animal alternatives. These alternative approaches (such as non-animal tests and in silico models) should provide not only reliable predictions of hazard but also match the performance of assays such as the LLNA in the prediction of potency. With this goal in mind, an EC3 prediction model has been developed based on publicly available LLNA studies and mechanistic (alert) domains as provided by Derek Nexus, an expert knowledge base system for toxicity predictions.

This poster reviews the performance of the model and the importance of expert review when measuring EC3 predictions in Derek Nexus.

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