Integrating chemistry scholarship with web architectures, grid computing and semantic web

A chemist given a compound would be interested in knowing the experiments performed using the compound, journals containing the compound and also molecular properties of the compound. If there is a way to integrate this data, it would enhance the chemist's knowledge about a given compound. The Object Reuse and Exchange (ORE) specification may provide a solution to this problem. ORE is a model proposed by the digital libraries community to aggregate resources on the web. OREChem is a research project funded by Microsoft External Research that aims to apply and extend ORE to enable the integration of experimental, bibliographical and molecular properties data. OREChem targets crystallography as its primary application domain. This effort will design a prototypical, semantic-based eScience infrastructure for chemistry and chemical informatics. In this paper we describe how we have used REST as well as SOAP web services, TeraGrid cyberinfrastructure and Semantic Web technologies, such as RDF and triple stores, to facilitate the metadata integration.