Development of Predictive Toxicology Applications

OpenTox Workshop
Development of Predictive Toxicology Applications
19th September 2010
to be held at the Rodos Palace Hotel, Rhodes, Greece
http://www.rodos-palace.com/

pre-conference workshop of the 18th European Symposium on QSAR, 19-24 September 2010
http://www.euroqsar2010.gr/27/article/english/27/18/index.htm

There is no registration fee to participate in this workshop but places will be limited.

Workshop Goals
This workshop will provide detailed expert guidance on the use of the OpenTox Framework for the building of predictive toxicology applications. Developers will obtain insight on the use of OpenTox interfaces, ontologies and web services for the building of new applications and for the incorporatation of their software as web services compliant with OpenTox and other industry and regulatory standards into the OpenTox Framework. Users will learn about the current capabilities of OpenTox as an interoperable, extensible platform for the flexible development, deployment and use of in silico applications in predictive toxicology.  Use cases covered will include data management, model building, prediction, validation and reporting with particular attention given to REACH regulatory requirements.

Draft Program
09.30 Introduction and Overview, Barry Hardy (Douglas Connect)
- Guiding Principles
- User Requirements
- OpenTox Community and Collaboration Pool
- Future Directions

10.00 Framework Design, Christoph Helma (in silico toxicology)
- Design considerations
- Architecture
- Components
- Extensibility

10.30 Application Programming Interfaces, Nina Jeliazkova (Ideaconsult)
- REST web services
- Review of APIs
- Tips on development use of APIs

11.00 Coffee Break

11.30 Ontologies, Romualdo Benigni (Istituto Superiore di Sanità)
- Principles
- Incorporation of Ontologies into OpenTox
- Ontology Development
- ToxML

12.00 Data Management and Integration, Nina Jeliaskova (Ideaconsult)
- Ontology Server
- Using the Dataset API
- Verifying quality and accuracy of data
- Dataset Integration Example

12.30 Algorithms, Stefan Kramer (Technical University of Munich)
- Types of QSAR Algorithms incorporated into OpenTox
- Consensus Models
- Applicability Domain
- Novel Algorithms

13.00 Lunch

14.00 Validation, Haralambos Sarimveis (National Technical University of Athens)
- OECD Validation Principles applied within OpenTox
- Types of Validation routines incorporated into OpenTox
- Validation Example

14.30 REACH reporting, Andreas Karwath (University of Freiburg)
- Requirements of REACH reporting
- Reporting Formats supported within OpenTox
- REACH Use Case reporting Example

15.00 Developing Applications, led by OpenTox community researchers and developers
- Tips and Tricks getting started
- Pitfalls to avoid
- Examples

16.00 ToxPredict Application and Case Study, led by OpenTox community researchers and developers
- Design of Application to predict toxicity
- How the Application services work together
- Application Use Case Examples

16.30 ToxCreate Application and Case Study, led by OpenTox community researchers and developers
- Design of Application to create and validate predictive toxicity models
- How the Application services work together
- Application Use Case Examples

17.00 Reception with food and drinks

Please join us for what should be an interesting and enjoyable day!

You can register for the workshop at http://reservations.zita-congress.gr/PackReservation.php?PackCode=F0030001

For questions related to the program, please contact Barry Hardy on barry.hardy -(at)- douglasconnect.com