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The eTOX data-sharing project to advance in silico drug-induced toxicity prediction

Cases, Montse, Briggs, Katharine, Steger-Hartmann, Thomas, Pognan, Francois, Marc, Philippe, Kleinöder, Thomas, Schwab, Christof H., Pastor, Manuel, Wichard, Joerg and Sanz, Ferran (2014) The eTOX data-sharing project to advance in silico drug-induced toxicity prediction. International Journal of Molecular Sciences, 15 (11). pp. 21136-21154.


The high-quality in vivo preclinical safety data produced by the pharmaceutical industry during drug development, following numerous strict guidelines are mostly not available in the public domain. These safety data are sometimes published as a condensed summary for the few compounds that reach the market, but the majority of studies, especially for compounds which fail during development, are never made public and are often difficult to access in an automated way, even sometimes within the owning company itself. It is evident from many academic and industrial examples, that useful data mining and model development requires large data sets and significant curation of the collected data. In 2010, under the auspices of the Innovative Medicines Initiative, the eTOX ("electronic toxicity") project was started with the objective to extract and share preclinical study data from paper or pdf archives of toxicology departments of the 13 participating pharmaceutical companies. The goal was to establish a detailed, well-curated database, which could then serve as source for read-across approaches (early assessment of the potential toxicity of a drug candidate by comparison of structure and/or effects) and training of predictive models.
The paper describes in some detail the efforts undertaken to allow effective data sharing (IP protection and set up of adequate controlled vocabularies) and to establish the database, as well as outlining the status of predictive models building and the remarkable features of the eTOX predictive system (eTOXsys) as a decision support knowledge-based tool at early stage of the drug development process.

Item Type: Article
Date Deposited: 13 Oct 2015 13:12
Last Modified: 13 Oct 2015 13:12


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