The synthesis of new compounds by combinatorial methods provides major opportunities for the generation of large volumes of new chemical knowledge. An extensive range of primary data needs to be accumulated, integrated and relationships modelled, so that maximum knowledge can be derived. The CombeChem project has developed an e-Science testbed that integrates existing structure and property data sources within a grid-based information-and knowledge-sharing environment. The service-based grid computing infrastructure extends to devices in the laboratory and involves enriched streams, full support for provenance and innovative techniques for automation throughout the environment.
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