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Mechanistic Expert Call Datasets Support in silico Prediction of Teratogenicity for a Wider Chemical Space

Fowkes A;

The scarcity of teratogenicity data and the cost of in vivo reproductive toxicity studies are driving the use of a wider range of assays, where the relationship between data and teratogenicity can be established. Similarly this lack of data is affecting the applicability domain of prediction systems for teratogenicity. This presentation will discuss the implementation of new structural alerts for teratogenicity, based on relevant pharmacological data identified through mapping of adverse outcome pathways (AOPs). The new in silico alerts allow for additional teratogenicity predictions to be made in Derek Nexus.

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