Now showing items 69-74 of 74

    • The use of CML and CML in Computational Chemistry and Physics Programs 

      Wakelin, Jon; Garcia, A; Murray-Rust, Peter (2008-06-26)
      This work addresses problems associated with data exchange and data representation in the computational chemistry and physics communities. Recent computational developments, such as Condor and the Grid, have paved the ...
    • Virtual Launch of Chemical Markup Language 

      Murray-Rust, Peter (2004-11-25)
      <p>These are a set of HTML slides presented during the virtual launch of Chemical Markup Language in 1998-04. This was an exciting and novel event. It was sponsored by Chemweb Ltd. (then a division of MDL, managed by Bill ...
    • Visions of a Semantic Molecular Future 

      Murray-Rust, Peter; Brooks, Brian; Bolton, Charlotte (Murray-Rust group, Unilever Centre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, 2011-07-05)
      The event looks forward. Scholarship (universities, research, teaching, publishing) has been slow to take up the opportunities of this digital century. This is an opportunity to identify and build the future.
    • Visions of a Semantic Molecular Future 

      Murray-Rust, Peter (Murray-Rust group, Unilever Centre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, 2011-07-05)
      The event looks forward. Scholarship (universities, research, teaching, publishing) has been slow to take up the opportunities of this digital century. This is an opportunity to identify and build the future.
    • Why PNNL are supporting semantic science - Data at EMSL/PNNL 

      Murray-Rust, Peter; Shelton, William (Murray-Rust group, Dept. of Chemistry, University of Cambridge, 2012-01-12)
    • 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. ...