Now showing items 26-45 of 74

    • The Early Years of Molecular Modeling at Glaxo 

      Murray-Rust, Peter; Adams, Nico (2008-02-05)
    • Engineering Polymer Informatics 

      Adams, Nico; Ryder, Jennifer; Jessop, David M; Corbett, Peter; Murray-Rust, Peter (2007-12-17)
    • Engineering Polymer Informatics: Towards The Computer-Aided Design of Polymers 

      Adams, Nico; Murray-Rust, Peter (Wiley-VCH, 2008)
    • 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 ...
    • MACiE: a database of enzyme reaction mechanisms 

      Holliday, Gemma L; Bartlett, Gail J; Almonacid, Daniel E; O'Boyle, Noel M; Murray-Rust, Peter; Thornton, Janet M; Mitchell, John BO (OUP, 2005-09-27)
    • Mining chemical information from Open patents 

      Jessop, Peter; Adams, Sam; Murray-Rust, Peter (Murray-Rust group, Unilever Centre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, 2011-07-04)
    • Mining chemical information from Open patents 

      Jessop, David M.; Adams, Sam E.; Murray-Rust, Peter (2011-10-14)
      Abstract Linked Open Data presents an opportunity to vastly improve the quality of science in all fields by increasing the availability and usability of the data upon which it is based. In the chemical field, there is a ...
    • NMR working group - preliminary discussions 

      Murray-Rust, Peter; Washton, Nancy (Murray-Rust group, Dept. of Chemistry, University of Cambridge, 2012-01-12)
    • On the use of CML in computational materials research 

      Murray-Rust, Peter; Dove, Martin (Murray-Rust group, Dept. of Chemistry, University of Cambridge, 2012-01-12)
    • Open access and the Chemical Semantic Web 

      Murray-Rust, Peter (2005-04-23)
      CINF 34: Open access and the Chemical Semantic Web Peter Murray-Rust, Unilever Centre for Molecular Informatics, University of Cambridge, University Chemical Laboratory, Lensfield Road, CB2 1EW Cambridge, United Kingdom, ...
    • Open Access and the Chemical Semantic Web 

      Murray-Rust, Peter; Rzepa, Henry S (2004-11-21)
    • Open Bibliography 

      Murray-Rust, Peter; Pollock, Rufus; MacGillivray, Mark; O'Steen, Ben; Waites, William (Murray-Rust group, Unilever Centre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, 2011-07-05)
      More research is published currently than can be understood or followed by a researcher without the aid of a computer. We need Open shareable information on research publications, an Open Bibliography, to build the services ...
    • Open Bibliography for Science, Technology, and Medicine 

      Jones, Richard; MacGillivray, Mark; Murray-Rust, Peter; Pitman, Jim; Sefton, Peter; O'Steen, Ben; Waites, William (2011-10-14)
    • Open Bibliography for Science, Technology, and Medicine 

      Jones, Richard; MacGillivray, Mark; Murray-Rust, Peter; Pitman, Jim; Sefton, Peter; O'Steen, Ben; Waites, William (Murray-Rust group, Unilever Centre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, 2011-07-04)
      The concept of Open Bibliography in science, technology and medicine (STM) is introduced as a combination of Open Source tools, Open specifications and Open bibliographic data. An Openly searchable and navigable network ...
    • Open Content Mining 

      Murray-Rust, Peter (2012-09-24)
      Abstract— We present evidence that content-mining of scholarly articles is now technically feasible and highly valuable both. However researchers and information technologist are blocked by legal and contractual barries ...
    • Open Data In Science 

      Murray-Rust, Peter (2008-01-05)
      Open Data (OD) is an emerging term in the process of defining how scientific data may be published and re-used without price or permission barriers. Scientists generally see published data as belonging to the scientific ...
    • Open Data In Science 

      Murray-Rust, Peter (2008-01-05)