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