data sharing through the cosmos database - mn-am sharing through the cosmos database mark cronin...
TRANSCRIPT
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