Collaborative Development of Predictive Toxicology Applications
Hardy et al. Journal of Cheminformatics 2010, 2:7 http://www.jcheminf.com/content/2/1/7 RESEARCH ARTICLE Open Access Collaborative development of predictive toxicology applications Barry Hardy1*, Nicki Douglas1, Christoph Helma2, Micha Rautenberg2, Nina Jeliazkova3, Vedrin Jeliazkov3, Ivelina Nikolova3, Romualdo Benigni4, Olga Tcheremenskaia4, Stefan Kramer5, Tobias Girschick5, Fabian Buchwald5, Joerg Wicker5, Andreas Karwath6, Martin Gütlein6, Andreas Maunz6, Haralambos Sarimveis7, Georgia Melagraki7, Antreas Afantitis7, Pantelis Sopasakis7, David Gallagher8, Vladimir Poroikov9, Dmitry Filimonov9, Alexey Zakharov9, Alexey Lagunin9, Tatyana Gloriozova9, Sergey Novikov9, Natalia Skvortsova9, Dmitry Druzhilovsky9, Sunil Chawla10, Indira Ghosh11, Surajit Ray11, Hitesh Patel11, Sylvia Escher12 Abstract OpenTox provides an interoperable, standards-based Framework for the support of predictive toxicology data man- agement, algorithms, modelling, validation and reporting. It is relevant to satisfying the chemical safety assessment requirements of the REACH legislation as it supports access to experimental data, (Quantitative) Structure-Activity Relationship models, and toxicological information through an integrating platform that adheres to regulatory requirements and OECD validation principles. Initial research defined the essential components of the Framework including the approach to data access, schema and management, use of controlled vocabularies and ontologies, architecture, web service and communications protocols, and selection and
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