[OTDev] Semantic web foundations and future directions for OpenTox

Barry Hardy barry.hardy at douglasconnect.com
Tue Aug 30 10:26:39 CEST 2011


I will (try to) present some of the wisdom so far and future directions 
for OpenTox in a Solomon Lecture at Jozef Stefan today. The institute 
will make it available via videolectures.net/solomon.
Barry

V torek, 30.6. bo ob 13:00 v v Oranzni predavalnici IJS
(drugo nadstropje glavne stavbe IJS) 233. Solomonov seminar.
Posnetki preteklih seminarjev so na http://videolectures.net/solomon/

Tokrat bo predaval Barry Hardy iz podjetja Douglas Connect iz Svice
o semantichnih tehnologijah za toksikologijo.

~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

Barry Hardy, OpenTox Project Coordinator, Douglas Connect, Switzerland

Title: OpenTox - the creation of a Semantic Web for Toxicology

Abstract:
A new paradigm of 21st century human-oriented safety testing approaches
is now emerging based on a combination of in silico and in vitro
approaches. The new predictive test systems developed from this growing
“grand challenge” effort will need to combine evidences from a great
variety of data, protocols, and concepts. The combination of these
sources of knowledge within an ontology-based mechanistic
knowledge-oriented framework to produce reliable test systems demands
the development of a semantic web for toxicology. The OpenTox Framework
(1,2) has been developed to support the communication between toxicology
resources, based on standard representations of data and metadata, the
ability for distributed resources to exchange data and metadata, build
and validate models, and generate reporting information relevant for
research analysis or risk assessment. I will describe the design and
semantic architecture of OpenTox and example applications it can
currently enable including a) creation and validation of models
addressing the regulatory requirements of the REACH legislation for
chemical safety evaluation (3), b) application in drug discovery
infrastructure development and weight-of-evidence library profiling of
drug candidate molecules (4), c) infrastructure development for the
interdisciplinary research activities of a large cluster of over 70
partners collaborating on the replacement of animal testing in the area
of systemic toxicology (5,6), and d) relevance for ecosystem protection
and biodiversity preservation, including sustainable development
contexts in both Europe and Africa (7).

(1) OpenTox - An Open Source Predictive Toxicology Framework, is funded
under the EU Seventh Framework Program: HEALTH-2007-1.3-3 Promotion,
development, validation, acceptance and implementation of QSARs
(Quantitative Structure-Activity Relationships) for toxicology, Project
Reference Number Health-F5-2008-200787 (2008-2011). More information at
www.opentox.org
(2) Collaborative Development of Predictive Toxicology Applications
Barry Hardy, Nicki Douglas, Christoph Helma, Micha Rautenberg, Nina
Jeliazkova, Vedrin Jeliazkov, Ivelina Nikolova, Romualdo Benigni, Olga
Tcheremenskaia, Stefan Kramer, Tobias Girschick, Fabian Buchwald, Joerg
Wicker, Andreas Karwath, Martin Gutlein, Andreas Maunz, Haralambos
Sarimveis, Georgia Melagraki, Antreas Afantitis, Pantelis Sopasakis,
David Gallagher, Vladimir Poroikov, Dmitry Filimonov, Alexey Zakharov,
Alexey Lagunin, Tatyana Gloriozova, Sergey Novikov, Natalia Skvortsova,
Dmitry Druzhilovsky, Sunil Chawla, Indira Ghosh, Surajit Ray, Hitesh
Patel and Sylvia Escher
Journal of Cheminformatics 2010, 2:7 (31 August 2010)
Full text and supplementary information available in Open Access at:
www.jcheminf.com/content/2/1/7
(3) REACH, http://ec.europa.eu/environment/chemicals/reach/reach_intro.htm
(4) Scientists Against Malaria, http://scientistsagainstmalaria.net/
(5) SEURAT-1, http://www.seurat-1.eu/
(6) ToxBank, http://www.toxbank.net/
(7) SETAC Africa Conference, 2011, http://cameroon.setac.eu/
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