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eTOXsys - An Integrated Platform for Profiling and Data Mining Across Multiple Databases and Prediction Models

pdf fileDrewe WC; Briggs K; Schwab CH; Kleinöder T; Yang C; Steger-Hartmann T; Amberg A; Pawletta M; Stolte M;

This poster was presented at the 52nd European Congress of the European Societies of Toxicology.


The eTOX project has developed a drug safety database that holds unpublished toxicology reports donated by 13 members of the pharmaceutical industry and public toxicology data. The database currently includes over 1,800 substances and 7,000 studies which may be explored through a customised interface, eTOXsys. This new system allows data mining for the dose-level effects for an API structure from this federated pre-clinical database across diverse pharmacological actions. Computational modellers have developed well documented and verified predictive models that are also accessible from within this interface for endpoints including ADME (e.g. transporter inhibition), organ toxicity (e.g. cardiotoxicity, phospholipidosis, hepatotoxicity) and target safety pharmacology. These models have been built on a chemical space with high relevance to drug development and that has relevance for other industry sectors. The eTOX database is linked to an ontology which has been developed by pathologists and toxicologists and is integrated with the SEND and INHAND initiatives. This poster will describe typical use cases for identifying potential risks or causes of toxicity during drug development. The use cases also demonstrate a DEMO version that will be available to the public and the important issue of sustainability and inter-operability.


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