Chemomentum
Grid technologies are starting to realize their large potential to provide innovative infrastructures for complex scientific and industrial applications. To make Grids more useful for knowledge-oriented applications such as decision support systems and risk assessment, more effort in the areas of semantics, metadata and knowledge management in distributed, heterogeneous environments are needed.
The Chemomentum project aims to fill these gaps by taking up and enhancing state-of-the-art Grid technologies and applying them to real-world challenges in computational chemistry and related application areas. It will help drive the transformation of computing paradigms in these areas towards collaborative research and Grid computing.
Specifically, the Chemomentum system including many applications will be used in the context of evaluation and risk assessment of chemicals: substances have to be carefully evaluated and assessed for possible risks to human health and the environment prior to marketing and distribution. This requires massive efforts in terms of time, money and testing animals. The Chemomentum system has the potential to boost time-effectiveness and reduce the need for animal testing in this area by providing powerful solutions for the computational, .in silico., testing of chemicals. This concretely supports the European REACH (Registration and evaluation of chemicals) initiatives aimed at optimizing risk assessment strategies.
ZIH's part in the project will be the development of a generic, Grid-based access on data and databases, that are geografically distributed. Metadata and data need to be read in, temporary and final results, models and knowledge need to be stored distributed over a number of sites.
Partners
- Interdisciplinary Centre for Mathematical and Computational Modelling Warsaw University, Poland (Project Coordinator)
- Forschungszentrum Jülich, Germany
- University of Tartu, Estonia
- Technische Universität Dresden
- University of Ulster, Northern Ireland, UK
- Istituto di Ricerche Farmacologiche "Mario Negri", Italy
- University of Zurich, Switzerland
- Biochemics Consulting, France
- TXT e-Solutions, Italy
Project Website
Grant Period
July,1st 2006 to December, 31st 2008
Funding
EU/FP7