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The oreChem project, funded by Microsoft Research, is investigating the design and deployment of a semantic-based eScience infrastructure for chemistry. The results of the project include the creation of an ontology that provides the basis for describing the entities and relationships for a scientific experiment, and the implementation of a workflow to combine extracted and in situ information from multiple sources, which provides a framework for computational enhancement of the data and querying thereof.
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Borkum et al. (2010) studied this question.
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