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Data Sharing Through the COSMOS Database
Mark Cronin
Liverpool John Moores University, England
Computational Approaches are at the
Heart of 21st Century Toxicology
• Databases of existing information
• Category formation (grouping) and read-across
• Structure-Activity Relationships (SAR)
• Quantitative Structure-Activity Relationships (QSAR)
• Expert Systems
• Bioinformatics
• Chemoinformatics
• Biokinetics (PBPK)
In Silico Models
Project
Threshold of Toxicological Concern (TTC)
PBPK and In Vitro – In Vivo Extrapolation
New Toxicological Databases
COSMOS DB: Freely Available and Searchable Resources for Toxicity Data
• Open-source technology
• High quality data
• Intuitive browsing of complex data
COSMOS DB v2.0
• Publicly available from 1 April 2016
• Houses data for human health endpoints
• Building blocks for safety evaluation
• Provides data relevant to international regulation of cosmetics-related chemicals
• Maintained through COSMOS DataShare Point initiative
Content of COSMOS DB v2.0
• 81,602 COSMOS IDs
• 44,765 unique structures
• Cosmetics Inventory • INCI names
• Chemical functions
• 12,538 toxicity studies for 1,660 compounds across 27 endpoints
• oRepeatTox DB toxicity data (230 cosmetics-related chemicals and 340 studies)
• Skin permeability data
COSMOS DB v2.0: Safety Evaluation and TTC Database, Decision Tree
DataShare Point
https://cosmosdb.eu
• An opportunity to share data
– Focus on mammalian ADMET endpoints
–Rich legacy of repeat-dose data
• Maintain, update and extend current data and functionalities of COSMOS DB v2
• A publicly available collaborative resource
• Linkage to chemoinformatics technologies
DataShare Point
COSMOS DataShare Point:
Why Get Involved • It’s not just another data sharing exercise
• Free access to data
– Building unique databases
• Supported by high quality chemical structures
– Cosmetics inventory
– Essential to support modelling and data capture
• Allows for data mining
– Organ level effects
• Data quality addressed
– Data entry system
Future Plans
• Continue to develop COSMOS DB v2 and its functionalities
• Enter data through collaborative agreements
• Mine and utilise data in new ways
• Developing better knowledge
• Updates through COSMOS DataShare Point Fora
– SOT and Eurotox
Acknowledgements
• The European Community’s Seventh Framework Program (FP7/2007-2013) COSMOS Project under grant agreement n° 266835 and Cosmetics Europe
• Co-workers in Liverpool, EU, USA
Thank You and Any Questions
DataShare Point
https://cosmosdb.eu