The UK e-science core programme and the grid
Future Generation Computer Systems - Grid computing: Towards a new computing infrastructure
Breaking the book: translating the chemistry lab book into a pervasive computing lab environment
Proceedings of the SIGCHI Conference on Human Factors in Computing Systems
Enhancing access to research data: the challenge of crystallography
Proceedings of the 5th ACM/IEEE-CS joint conference on Digital libraries
The Anatomy of the Grid: Enabling Scalable Virtual Organizations
International Journal of High Performance Computing Applications
Knowledge representation in the semantic web for Earth and environmental terminology (SWEET)
Computers & Geosciences
The application of geography markup language (GML) to the geological sciences
Computers & Geosciences
Adapting the electronic laboratory notebook for the semantic era
CTS'05 Proceedings of the 2005 international conference on Collaborative technologies and systems
Publication at source: scientific communication from a publication web to a data grid
EuroWeb'02 Proceedings of the 2002 international conference on EuroWeb
Provenance and Annotation of Data and Processes
Enhancing and scaling-up design-based research: the potential of e-research
ICLS'08 Proceedings of the 8th international conference on International conference for the learning sciences - Volume 2
e-Social Science and Evidence-Based Policy Assessment
Social Science Computer Review
CombeChem: a case study in provenance and annotation using the semantic web
IPAW'06 Proceedings of the 2006 international conference on Provenance and Annotation of Data
Future Generation Computer Systems
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The CombeChem e-Science project has demonstrated the advantages of using Semantic Web technology, in particular RDF and the associated triplestores, to describe and link diverse and complex chemical information, covering the whole process of the generation of chemical knowledge from inception in the synthetic chemistry laboratory, through analysis of the materials made which generates physical measurements, computations based on this data to develop interpretations, and the subsequent dissemination of the knowledge gained. The RDF descriptions employed allow for a uniform description of chemical data in a wide variety of forms including multimedia, and of the chemical processes both in the laboratory and in model building. The project successfully adopted a strategy of capturing semantic annotations 'at source' and establishing schema and ontologies based closely on current operational practice in order to facilitate implementation and adoption. We illustrate this in the contexts of the synthetic organic chemistry laboratory with chemists at the bench, computational chemistry for modelling data, and the linking of chemical publications to the underlying results and data to provide the appropriate provenance. The resulting 'Semantic Data Grid' comprises tens of millions of RDF triples across multiple stores representing complex chains of derived data with associated provenance.