The eTOX data-sharing project to advance in silico drug-induced toxicity prediction
| العنوان: | The eTOX data-sharing project to advance in silico drug-induced toxicity prediction |
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| المؤلفون: | Montserrat Cases, Thomas Steger-Hartmann, Katharine Briggs, Ferran Sanz, Thomas Kleinöder, Francois Pognan, Christof H. Schwab, Jörg D. Wichard, Manuel Pastor, Philippe Marc |
| المصدر: | International Journal of Molecular Sciences International Journal of Molecular Sciences, Vol 15, Iss 11, Pp 21136-21154 (2014) Volume 15 Issue 11 Pages 21136-21154 Recercat. Dipósit de la Recerca de Catalunya instname |
| سنة النشر: | 2014 |
| مصطلحات موضوعية: | Decision support system, Medicaments -- Toxicologia, in vitro toxicity, decision support system, in silico toxicity, Databases, Pharmaceutical, data sharing, Intellectual property, in vivo toxicity, Bioinformatics, computer.software_genre, Predictive models, lcsh:Chemistry, Drug Discovery, Medicine, Data Mining, ontologies, lcsh:QH301-705.5, Spectroscopy, Pharmaceutical industry, In vivo toxicity, QSAR, General Medicine, In vitro toxicity, predictive models, In silico toxicity, 3. Good health, Computer Science Applications, Drug development, Pharmaceutical Preparations, Vocabulary, Controlled, Data integration, Ontologies (Recuperació de la informació), read-across, Drug-Related Side Effects and Adverse Reactions, Public domain, Models, Biological, Catalysis, Article, Inorganic Chemistry, Controlled vocabulary, Ontologies, Humans, Computer Simulation, Physical and Theoretical Chemistry, Molecular Biology, data integration, business.industry, Organic Chemistry, Data science, Data sharing, lcsh:Biology (General), lcsh:QD1-999, Read-across, business, computer |
| الوصف: | The high-quality in vivo preclinical safety data produced by the pharmaceutical industry during drug development, which follows 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 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 and representative data sets and careful curation of the collected data. In 2010, under the auspices of the Innovative Medicines Initiative, the eTOX project started with the objective of extracting and sharing preclinical study data from paper or pdf archives of toxicology departments of the 13 participating pharmaceutical companies and using such data for establishing 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 similar structure and/or effects) and training of predictive models. The paper describes the efforts undertaken to allow effective data sharing intellectual property (IP) protection and set up of adequate controlled vocabularies) and to establish the database (currently with over 4000 studies contributed by the pharma companies corresponding to more than 1400 compounds). In addition, the status of predictive models building and some specific features of the eTOX predictive system (eTOXsys) are presented as decision support knowledge-based tools for drug development process at an early stage. The research leading to these results has received support from the Innovative Medicines Initiative Joint Undertaking under grant agreement n° 115002 (eTOX), resources of which are composed of financial contribution from the European Union’s Seventh Framework Programme (FP7/2007-2013) and EFPIA companies’ in kind contributions. The authors would like to formally acknowledge the contribution to the eTOX project of all scientists and other staff involved |
| وصف الملف: | application/pdf |
| تدمد: | 1422-0067 |
| الوصول الحر: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9c98939a63411d0405fecb956f8e4d36Test https://pubmed.ncbi.nlm.nih.gov/25405742Test |
| حقوق: | OPEN |
| رقم الانضمام: | edsair.doi.dedup.....9c98939a63411d0405fecb956f8e4d36 |
| قاعدة البيانات: | OpenAIRE |
| تدمد: | 14220067 |
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