The Chemomentum project will provide Grid-based solutions for workflow-centric, complex applications, such as risk assessment, toxicity prediction and drug design. It will focus on tools for dealing with data and knowledge in an efficient and reliable manner. The Chemomentum software will enable users to assess the knowledge stored in the system in terms of applicability, range of validity and reliability, and will make it easy to use this knowledge for predictive and decision-making purposes.
Leveraging developments in enterprise software systems, such as service oriented architectures and business integration, Chemomentum will achieve these aims by taking up and enhancing European Grid middleware. Grid-enabling relevant applications and building services on the Grid, Chemomentum will provide an easy-to-use Grid system that focuses on the end users, allowing them to use powerful tools in an efficient and transparent way. Intuitive, task-oriented user interfaces will allow the users to focus on their work, keeping any Grid related complexity hidden. Administration of the Grid, for example management of users, management of software licenses and application deployment on the Grid will be greatly simplified.
The generic system including many applications will be tested in the context of evaluation and risk assessment of chemicals: substances have to be carefully tested 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.
Field of science
- /medical and health sciences/basic medicine/medicinal chemistry
- /natural sciences/computer and information sciences/software/system software
Funding SchemeSTREP - Specific Targeted Research Project