Now showing items 33-52 of 74

    • 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)
    • OPEN DATA! 

      Murray-Rust, Peter (2005-04-16)
      Most scientific and almost all chemical data is lost before publication. This 10 minute invited talk gives bullet points and slogans urging scientists to archive data at source and ends with some actions that are free and simple
    • Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on 

      O'Boyle, Noel M; Guha, Rajarshi; Willighagen, Egon L; Adams, Samuel E; Alvarsson, Jonathan; Apodaca, Richard L; Bradley, Jean-Claude et al. (Murray-Rust group, Unilever Centre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, 2011-06-04)
    • Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on 

      O'Boyle, Noel M.; Guha, Rajarshi; Willighagen, Egon L.; Adams, Samuel E.; Alvarsson, Jonathan; Bradley, Jean-Claude; Filippov, Igor V. et al. (2011-10-14)
      Abstract Background The Blue Obelisk movement was established in 2005 as a response to the lack of Open Data, Open Standards and Open Source (ODOSOS) in chemistry. It aims to make it easier to carry out chemistry research ...
    • OSCAR4: a flexible architecture for chemical text-mining 

      Jessop, Peter; Adams, Sam; Willighagen, Egon L; Hawizy, Lezan; Murray-Rust, Peter (2011-07-04)
    • OSCAR4: a flexible architecture for chemical text-mining 

      Jessop, David M.; Adams, Sam E.; Willighagen, Egon L.; Hawizy, Lezan; Murray-Rust, Peter (2011-10-14)
      Abstract The Open-Source Chemistry Analysis Routines (OSCAR) software, a toolkit for the recognition of named entities and data in chemistry publications, has been developed since 2002. Recent work has resulted in the ...
    • The Quixote Project 

      Adams, Sam; Beke, Tamas; Echenique, Pablo; Estrada, Jorge; Hanwell, Marcus D; Murray-Rust, Peter; Thomas, Jens et al. (Murray-Rust group, Unilever Centre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, 2011-07-05)
      The Quixote Project is an Open Source, Open Data, international collaboration to develop the infrastructure to organise, share and query computational chemistry data; no centralised structure, internet-based and run entirely ...
    • The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet age 

      Adams, Sam; de Castro, Pablo; Echenique, Pablo; Estrada, Jorge; Hanwell, Marcus D; Murray-Rust, Peter; Sherwood, Paul et al. (Murray-Rust group, Unilever Centre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, 2011-07-04)
      Computational Quantum Chemistry has developed into a powerful, efficient, reliable and increasingly routine tool for exploring the structure and properties of small to medium sized molecules. Many thousands of calculations ...