Now showing items 1-13 of 13

    • Chemistry in Bioinformatics 

      Murray-Rust, Peter; Mitchell, John B O; Rzepa, Henry S (2005-05-19)
      Chemical information is now seen as critical for most areas of life sciences. But unlike Bioinformatics, where data is Openly available and freely re−usable, most chemical information is closed and cannot be re−distributed ...
    • Chemistry in Bioinformatics 

      Murray-Rust, Peter; Mitchell, John BO; Rzepa, Henry S (2005-06-07)
    • CML: Evolution and Design 

      Murray-Rust, Peter; Rzepa, Henry S (2011-10-14)
    • CML: Evolution and Design 

      Murray-Rust, Peter; Rzepa, Henry S (Murray-Rust group, Unilever Centre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, 2011-07-04)
      A retrospective view of the design and evolution of Chemical Markup Language (CML) is presented by its original authors.
    • Communication and re-use of chemical information in bioscience 

      Murray-Rust, Peter; Mitchell, John BO; Rzepa, Henry S (2005-05-19)
    • Extracting and re-using research data from chemistry e-theses: the SPECTRa-T project 

      Morgan, Peter; Downing, Jim; Murray-Rust, Peter; Stewart, Diana; Tonge, Alan; Townsend, Joseph A; Harvey, Matt et al. (11th International Symposium on Electronic Theses and Dissertations, 2008-06)
      Scientific e-theses are data-rich resources, but much of the information they contain is not readily accessible. For chemistry, the SPECTRa-T project has addressed this problem by developing data-mining techniques to ...
    • A global resource for computational chemistry 

      Murray-Rust, Peter; Rzepa, Henry S; Stewart, James JP; Zhang, Yong (2004-09-30)
    • JUMBO - An XML infrastructure for eScience 

      Yong, Zhang; Murray-Rust, Peter; Dove, Martin T; Glen, Robert C; Rzepa, Henry S; Townsend, Joseph A; Tyrrell, Simon M et al. (2008-06-26)
      JUMBO is an OpenSource toolkit addressing the semantic and ontological impedances that are major barriers to interoperability in computational chemistry and physics. Users build XMLSchemas from generic XML components to ...
    • Open Access and the Chemical Semantic Web 

      Murray-Rust, Peter; Rzepa, Henry S (2004-11-21)
    • Representation and use of Chemistry in the Global Electronic Age 

      Murray-Rust, Peter; Rzepa, Henry S; Tyrrell, Simon M; Zhang, Yong (2004-09-30)
    • A semantic Grid for molecular science 

      Murray-Rust, Peter; Glen, Robert C; Rzepa, Henry S; Stewart, James J P; Townsend, Joseph A; Willighagen, Egon L; Yong, Zhang (2008-06-26)
      The properties of molecules have very well defined semantics and allow the creation of a semantic GRID. Markup languages (CML - Chemical Markup Language) and dictionary-based ontologies have been designed to support a wide ...
    • Semantic physical science 

      Murray-Rust, Peter; Rzepa, Henry S (2012-08-03)
    • WWMM/CML Framework 

      Murray-Rust, Peter; Rzepa, Henry S; Blue Obelisk; Quixote Project; eMinerals Project (Murray-Rust group, Unilever Centre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, 2011-07-05)
      The World-Wide Molecular Matrix (2001-) is a design for capture and re-use of chemical information using Open semantic tools. There is no centre; scientists publish to the Matrix and re-use data from it. All data is Open. ...