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OpenTox 2011

Technical University of MunichOpenTox InterAction Meeting Proceedings

Innovation in Predictive Toxicology

In Vitro and In Silico Modelling, Applications, REACH, Risk Assessment

9-12 August 2011

Technical University of Munich, Munich, Germany


This meeting discussed latest developments in predictive toxicology, including in silico and in vitro  modelling, applications, REACH-relevant models, risk assessment and regulatory and industry needs. A pre-conference workshop on new developments in OpenTox methods and applications was held 9 August.

Conference Chairs

The meeting was co-chaired by Dr. Barry Hardy (Douglas Connect) and Prof. Stefan Kramer (Technical University Munich).

Organising Committee

Fabian Buchwald, Marlena Drabik, Tobias Girschick, Tim Karl, Stefan Kramer, Jörg Wicker (TUM), Roman Affentranger, Nicki Douglas, Barry Hardy (Douglas Connect)

Munich SpiresPoster Session & Awards

Posters loaded upon poster boards were available throughout the conference. All posters were reviewed at the meeting to provide presenters feedback. Awards for best posters

were announced on Friday morning.

NOTE: You can access online versions of the Posters at


The meeting was held at the Technical University of Munich (TUM) located in Munich, Germany.

You can view a google map showing the locations on campus and nearby hotels in Garching at:


Workshop Program

NOTE: You can access online versions of the Workshop Exercises at

Tuesday 9th August

13.00 Registration Desk Open

14.00 OpenTox Workshop

In this Workshop participants worked hands-on in small groups with new emerging software applications on predictive toxicology applications. Participants should ideally bring their own laptops to work on problems. Participants had the opportunity to work through three activities in rotation. Wireless network and Internet connectivity was available to all participants.


14.00 Introductions and Overview of OpenTox (at each table)
14.30 Rotation 1
15.30 Coffee Break
16.00 Rotation 2
17.00 Rotation 3
18.00 Networking & Refreshments

View Activities


Conference Program Proceedings

Wednesday 10th August

08.00 Registration Desk Open

09.00 Barry Hardy (Douglas Connect) and Stefan Kramer (Technical University of Munich), Chairs’ Introduction
09.15 Michael Schwarz (University of Tuebingen): Meta-Analysis of a Battery Test of Reproductive Toxicity Assays (Abstract) (Slides) (Video Part 1, Part 2)
10.00 Joanna Jaworska (Proctor & Gamble): Next Generation of Adaptive Integrated Testing Strategies for Skin Sensitization (Abstract) (Slides)

10.30 Coffee Break

11.00 Erwin Roggen (Novozymes): Integrated Data Analysis of in vitro Testing Approaches Advancing Biotech Product Development and Safety Evaluation (Abstract)
11.30 Juergen Borlak (Fraunhofer Institute): Toxicology Model Building based on –Omics datasets (Abstract)
12.00 Elmar Heinzle (Saarland University): Systems Biology Approaches Supported by Microdevice Engineering (Abstract)
12.30 Henning Hermjakob (EBI): Extending the Scope: Integrating Molecular Interaction and Pathway Data (Abstract) (Slides) (Video)

13.00 Lunch

14.00 Asish Mohapatra (Health Canada): A Review of Data Fusion Methodology and Applications in the Context of Dose Response Assessment and Human Health Risk Assessment (Abstract) (Slides)
14.30 Matt Martin (US EPA): Toxicology Data Curation, Integration and Analysis for ToxCast Datasets (Abstract) (Slides) (Video)
15.00 Mark Cronin (Liverpool John Moores University): Using Adverse Outcome Pathways to Group Chemicals into Toxicologically Relevant Categories (Abstract) (Slides)

15.30 Excursion to Castle and Gardens at Schloß Schleißheim (

Thursday 11th August

09.00 David Gallagher (OpenTox): Satisfying REACH Requirements with OpenTox (Abstract) (Slides) (Video)
09.30 Ola Spjuth (University Uppsala): Enabling Decision Support for Chemical Safety Assessment (Abstract) (Slides) (Video)
10.00 Dragana Mitic and Gordana Apic (Cambridge Cell Networks): Mechanism-based Applications of Toxicology Ontology (Abstract) (Video)

10.30 Coffee Break

11.00 Jonna Stålring (Astra Zeneca): Applications of QSAR in Drug Discovery (Abstract)
11.30 Patrik Rydberg (University of Copenhagen): Prediction of Cytochrome P450 Mediated Metabolism (Abstract) (Slides) (Video)
12.00 Igor Tetko (Helmholtz Centre Munich): Web Tools for Predictive Toxicology Model Building (Abstract) (Slides) (Video)
12.30 Mohammed Atari (Cyprotex Discovery Ltd): Mathematically Modelling the Induction of Xenobiotic-Metabolising and Transporter Enzymes (Abstract) (Slides) (Video)

13.00 Lunch

14.00 Knowledge Café: Challenges, Future Directions and Collaboration Opportunities in Predictive Toxicology
Participants discussed the following topics in small groups: A. Mechanistic Strategies, B. Predictive Metabolism C. Computational Chemistry D. Systems Biology E. Regulatory Needs F. Kinetics G. Weight of Evidence H. Read Across and Categories

15.30 Poster Session (View list of posters and abstracts)

Friday 12th August

09.30 Tom Aldenberg (RIVM): Dependence between Models and Tests in Predictive Toxicology (Abstract) (Slides) (Video)
10.00 Friedemann Schmidt (Sanofi-Aventis): In-Silico Prediction of Drug Phototoxicity (Abstract)

10.30 Coffee Break

11.00 Simon Thomas (Cyprotex Discovery Ltd): The Role of High Content Toxicology and In Silico Modelling in Identifying Toxic Liabilities (Abstract) (Slides)
11.30 Kevin Cross (Leadscope Inc.): Development of Pharmaceutical QSAR Models for Regulatory Purposes (Abstract) (Slides) (Video)
12.00 Paul Bradley (Biowisdom Ltd.): Repurposing of Drug Label Information to Create Actionable Intelligence with BioWisdom's Metawise (Abstract) (Slides)

12.30 Barry Hardy (Douglas Connect) and Stefan Kramer (Technical University of Munich), Poster Awards and Closing Remarks

13.00 Close


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