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ToxBank Data Warehouse Interoperable with COSMOS Database for cosmetic ingerdients.

ToxBank Cosmos collaboration recognised with best Poster Award at February 2014 SEURAT-1 meeting in Barcelona.

Within the SEURAT-1 Initiative, the management and sharing of chemical and biological data play a central role. COSMOS developed a high quality web-based database, COSMOS DB, with searching capabilities for both structures and toxicity data. The chemistry content includes a cosmetics inventory compiled from the EU CosIng database and US PCPC list for cosmetics-related chemicals. COSMOS DB houses the COSMOS oRepeatDoseDB and TTC databases and supports metabolism information and dermal absorption beyond repeated dose toxicity data. A web-based data entry system which allows both data entry and quality control has also been developed.

COSMOS DB v1.0 has been made publicly available. Furthermore, COSMOS Space has been designed on the basis of data governance principles to provide online interactive functionalities to share data and models. It also links to COSMOS DB and the KNIME WebPortal which allows external users to execute developed models through online web-forms. ToxBank is the SEURAT-1 cross-cluster infrastructure project aimed at the development of a data warehouse which provides a shared repository for protocols and experimental results across the cluster. In addition, ToxBank supports the mode-of-action framework across the cluster by the selection of reference compounds.

A pilot case study was designed to retrieve relevant information from either COSMOS DB or ToxBank to promote analysis across different data domains, for example, in vivo toxicity and in vitro testing results. The integration between both systems is presented based on open standards allowing seamless exploration of the data available across the projects within the SEURAT-1 cluster and beyond.