Objective
The specific objectives of this project are as follows: (1) To use EUROGRID for integrating heterogeneous and distributed databases for computational molecular engineering, (2) To use EUROGRID for integrating relevant existing tools for carrying out molecular modeling, (3) To provide a solid foundation for the design of next generation molecular engineering tools (prediction of molecular structures with target properties), (4) To provide secure global access to highly sensitive R&D information resources through EUROGRID infrastructure, (5) To promote the use of the OpenMolGRID environment for scientific and industrial end-users, and (6) To carry out representative tests for globalised life science applications. The specific objectives of this project are as follows: (1) To use EUROGRID for integrating heterogeneous and distributed databases for computational molecular engineering, (2) To use EUROGRID for integrating relevant existing tools for carrying out molecular modeling, (3) To provide a solid foundation for the design of next generation molecular engineering tools (prediction of molecular structures with target properties), (4) To provide secure global access to highly sensitive R&D information resources through EUROGRID infrastructure, (5) To promote the use of the OpenMolGRID environment for scientific and industrial end-users, and (6) To carry out representative tests for globalised life science applications.
OBJECTIVES
The specific objectives of this project are as follows: (1) To use EUROGRID for integrating heterogeneous and distributed databases for computational molecular engineering, (2) To use EUROGRID for integrating relevant existing tools for carrying out molecular modeling, (3) To provide a solid foundation for the design of next generation molecular engineering tools (prediction of molecular structures with target properties), (4) To provide secure global access to highly sensitive R&D information resources through EUROGRID infrastructure, (5) To promote the use of the OpenMolGRID environment for scientific and industrial end-users, and (6) To carry out representative tests for globalised life science applications.
DESCRIPTION OF WORK
The OpenMolGRID project will address large-scale molecular design problems. The molecular design in a large is essentially based on warehousing and data mining. Data warehousing techniques are needed to collect relevant data from distributed and heterogeneous databases. Data mining techniques (MLR, PCA, PLS, ANN, etc) are used to build predictive QSPR/QSAR models. The Grid approach is vitally essential, since the amount of data is huge and model building is computationally very demanding. The first step to address these issues is to use EUROGRID infrastructure for adaption of existing software modules, and to make solid foundation for next step molecular engineering tools. This involves the design of seamless and unified user interface and providing adapters to make software grid-aware. The second step is to use OpenMolGRID system to develop prototype application for generation molecular structures with given chemical properties or biological activities. Thirdly, the OpenMolGRID will involve intensive testing of developed system by academic and industrial users on real application (multi-drug resistance, GPCR activity, toxicity).
Fields of science (EuroSciVoc)
- natural sciences computer and information sciences software
- natural sciences computer and information sciences databases
- natural sciences computer and information sciences data science data mining
- medical and health sciences basic medicine pharmacology and pharmacy drug resistance multidrug resistance
- engineering and technology other engineering and technologies microtechnology molecular engineering
Programme(s)
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
Topic(s)
Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.
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Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.
Call for proposal
Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
Data not available
Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
Funding Scheme
Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.
Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.
Coordinator
52425 JUELICH
Germany
The total costs incurred by this organisation to participate in the project, including direct and indirect costs. This amount is a subset of the overall project budget.