Research article
Collaborative development of predictive toxicology applications
-
* Corresponding author: Barry Hardy barry.hardy@douglasconnect.com
1 Douglas Connect, Baermeggenweg 14, 4314 Zeiningen, Switzerland
2 In silico Toxicology, Altkircher Str. 4 CH-4052 Basel, Switzerland
3 Ideaconsult Ltd, A. Kanchev 4, Sofia 1000, Bulgaria
4 Istituto Superiore di Sanità, Environment and Health Department, Istituto Superiore di Sanita', Viale Regina Elena 299, Rome 00161, Italy
5 Technical University of Munich, Technische Universität München, Arcisstr. 21, 80333 München, Germany
6 Albert-Ludwigs University Freiburg, 79110 Freiburg i.Br., Germany
7 National Technical University of Athens, School of Chemical Engineering, Heroon Polytechneiou 9, 15780, Zographou, Athens, Greece
8 David Gallagher, Congresbury, Somerset, UK
9 Institute of Biomedical Chemistry of Russian Academy of Sciences, 119121 Moscow, Russia
10 Seascape Learning, 271 Double Story, New Rajinder Ngr., New Delhi 110060, India
11 Jawaharlal Nehru University, New Mehrauli Road, New Delhi 110067, India
12 Fraunhofer Institute for Toxicology & Experimental Medicine, Nikolai-Fuchs-Str. 1, 30625 Hannover, Germany
Journal of Cheminformatics 2010, 2:7 doi:10.1186/1758-2946-2-7
Published: 31 August 2010Additional files
Additional file 1:
Definition of Ontology. Description of ontology and vocabulary definitions.
Format: DOC Size: 50KB Download file
This file can be viewed with: Microsoft Word Viewer
Additional file 2:
User Requirements by User Type. User requirements for several different kinds of OpenTox user are described.
Format: DOC Size: 47KB Download file
This file can be viewed with: Microsoft Word Viewer
Additional file 3:
Interfaces and REST services. Description of approach to OpenTox interfaces and REpresentational State Transfer (REST) web service architecture.
Format: DOC Size: 44KB Download file
This file can be viewed with: Microsoft Word Viewer
Additional file 4:
Data Schema. Descriptions of OECD-HT and ToxML data schemas of relevance to OpenTox and the mapping of data resources to the schema.
Format: DOC Size: 55KB Download file
This file can be viewed with: Microsoft Word Viewer
Additional file 5:
OpenTox Algorithm Template. The fields of the OpenTox description table for the algorithm template are described.
Format: DOC Size: 55KB Download file
This file can be viewed with: Microsoft Word Viewer
Additional file 6:
Initial Implemented OpenTox Algorithms. Descriptions of initial implemented OpenTox Algorithms for descriptor calculation, classification and regression, clustering and feature selection.
Format: DOC Size: 61KB Download file
This file can be viewed with: Microsoft Word Viewer
Additional file 7:
Validation Use Case Examples. Description of three example validation Use Cases for application to predictive toxicology models.
Format: DOC Size: 60KB Download file
This file can be viewed with: Microsoft Word Viewer
Additional file 8:
Validation Interfaces and Services. Description of API for OpenTox Validation services.
Format: DOC Size: 54KB Download file
This file can be viewed with: Microsoft Word Viewer
Additional file 9:
Model Validation Use Case. Description of Model Validation Use Case execution by OpenTox Web Services.
Format: DOC Size: 53KB Download file
This file can be viewed with: Microsoft Word Viewer
Additional file 10:
Information included in OpenTox Reports. Description of Information included in OpenTox Reports.
Format: DOC Size: 48KB Download file
This file can be viewed with: Microsoft Word Viewer
Additional file 11:
OpenTox Reporting API and Supported Templates. Description of reporting formats supported by OpenTox.
Format: DOC Size: 58KB Download file
This file can be viewed with: Microsoft Word Viewer
Additional file 12:
OpenTox Data Infrastructure. Description of data resources included in initial OpenTox Data Infrastructure.
Format: DOC Size: 92KB Download file
This file can be viewed with: Microsoft Word Viewer
Additional file 13:
Graphical Interface Description of ToxPredict Application Steps. Description of graphical user interface interactions for steps involved in execution of ToxPredict Application.
Format: DOC Size: 594KB Download file
This file can be viewed with: Microsoft Word Viewer
Additional file 14:
Graphical Interface Description of ToxCreate Application Steps. Description of graphical user interface interactions for steps involved in execution of ToxCreate Application.
Format: DOC Size: 234KB Download file
This file can be viewed with: Microsoft Word Viewer