Peter Murray-Rust

Xiaoyu Yang, Martin T. Dove, Richard P. Bruin, Andrew D. Walkingshaw, Richard Sinclair, Dan J. Wilson, Peter Murray-Rust: An e-Science data infrastructure for simulations within Grid computing environment: methods, approaches and practice. Concurrency and Computation: Practice and Experience 25(3): 385-409 (2013)

Peter Murray-Rust, Henry S. Rzepa: Semantic physical science. J. Cheminformatics 4: 14 (2012)

Weerapong Phadungsukanan, Markus Kraft, Joe Townsend, Peter Murray-Rust: The semantics of Chemical Markup Language (CML) for computational chemistry: CompChem. J. Cheminformatics 4: 15 (2012)

Sam E. Adams, Peter Murray-Rust: Chempound - a Web 2.0-inspired repository for physical science data. J. Digit. Inf. 13(1) (2012)

Cameron Neylon, Jan Aerts, C. Brown, Simon J. Coles, Les Hatton, Daniel Lemire, K. Millman, Peter Murray-Rust, Fernando Perez, Neil F. W. Saunders, Nigam Shah, Arfon Smith, Gaël Varoquaux, Egon L. Willighagen: Changing computational research. The challenges ahead. Source Code for Biology and Medicine 7: 2 (2012)

Lezan Hawizy, David M. Jessop, Nico Adams, Peter Murray-Rust: ChemicalTagger: A tool for semantic text-mining in chemistry. J. Cheminformatics 3: 17 (2011)

Noel M. O'Boyle, Rajarshi Guha, Egon L. Willighagen, Sam E. Adams, Jonathan Alvarsson, Jean-Claude Bradley, Igor V. Filippov, Robert M. Hanson, Marcus D. Hanwell, Geoffrey R. Hutchison, Craig A. James, Nina Jeliazkova, Andrew S. I. D. Lang, Karol M. Langner, David C. Lonie, Daniel M. Lowe, Jérôme Pansanel, Dmitry Pavlov, Ola Spjuth, Christoph Steinbeck, Adam L. Tenderholt, Kevin J. Theisen, Peter Murray-Rust: Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on. J. Cheminformatics 3: 37 (2011)

Sam E. Adams, Pablo de Castro, Pablo Echenique, Jorge Estrada, Marcus D. Hanwell, Peter Murray-Rust, Paul Sherwood, Jens Thomas, Joe Townsend: The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet age. J. Cheminformatics 3: 38 (2011)

Joe Townsend, Peter Murray-Rust: CMLLite: a design philosophy for CML. J. Cheminformatics 3: 39 (2011)

David M. Jessop, Sam E. Adams, Peter Murray-Rust: Mining chemical information from open patents. J. Cheminformatics 3: 40 (2011)

David M. Jessop, Sam E. Adams, Egon L. Willighagen, Lezan Hawizy, Peter Murray-Rust: OSCAR4: a flexible architecture for chemical text-mining. J. Cheminformatics 3: 41 (2011)

Peter Murray-Rust, Sam E. Adams, Jim Downing, Joe Townsend, Yong Zhang: The semantic architecture of the World-Wide Molecular Matrix (WWMM). J. Cheminformatics 3: 42 (2011)

Peter Murray-Rust, Joe Townsend, Sam E. Adams, Weerapong Phadungsukanan, Jens Thomas: The semantics of Chemical Markup Language (CML): dictionaries and conventions. J. Cheminformatics 3: 43 (2011)

Peter Murray-Rust, Henry S. Rzepa: CML: Evolution and design. J. Cheminformatics 3: 44 (2011)

Brian Brooks, Adam L. Thorn, Matthew Smith, Peter Matthews, Shaoming Chen, Ben O'Steen, Sam E. Adams, Joe Townsend, Peter Murray-Rust: Ami - The chemist's amanuensis. J. Cheminformatics 3: 45 (2011)

Richard Jones, Mark MacGillivray, Peter Murray-Rust, Jim Pitman, Peter Sefton, Ben O'Steen, William Waites: Open Bibliography for Science, Technology, and Medicine. J. Cheminformatics 3: 47 (2011)

Peter Murray-Rust: Semantic science and its communication - a personal view. J. Cheminformatics 3: 48 (2011)

Joseph A. Townsend, Jim Downing, Peter Murray-Rust: CHIC - Converting Hamburgers into Cows. eScience 2009: 337-343

Nick Day, Jim Downing, Lezan Hawizy, Nico Adams, Peter Murray-Rust: Towards Lensfield - Data Management, Processing and Semantic Publication for Vernacular e-Science. eScience 2009: 352-357

C. J. Rupp, Ann A. Copestake, Peter Corbett, Peter Murray-Rust, Advaith Siddharthan, Simone Teufel, Benjamin Waldron: Language Resources and Chemical Informatics. LREC 2008

Ola Spjuth, Tobias Helmus, Egon L. Willighagen, Stefan Kuhn, Martin Eklund, Johannes Wagener, Peter Murray-Rust, Christoph Steinbeck, Jarl E. S. Wikberg: Bioclipse: an open source workbench for chemo- and bioinformatics. BMC Bioinformatics 8 (2007)

Gemma L. Holliday, Daniel E. Almonacid, Gail J. Bartlett, Noel M. O'Boyle, James W. Torrance, Peter Murray-Rust, John B. O. Mitchell, Janet M. Thornton: MACiE (Mechanism, Annotation and Classification in Enzymes): novel tools for searching catalytic mechanisms. Nucleic Acids Research 35(Database-Issue): 515-520 (2007)

Peter Murray-Rust: Mathematics and Scientific Markup. Calculemus/MKM 2007: 128-129

Gemma L. Holliday, Peter Murray-Rust, Henry S. Rzepa: Chemical Markup, XML, and the World Wide Web. 6. CMLReact, an XML Vocabulary for Chemical Reactions. Journal of Chemical Information and Modeling 46(1): 145-157 (2006)

Rajarshi Guha, Michael T. Howard, Geoffrey R. Hutchison, Peter Murray-Rust, Henry S. Rzepa, Christoph Steinbeck, Jörg K. Wegner, Egon L. Willighagen: The Blue Obelisk-Interoperability in Chemical Informatics. Journal of Chemical Information and Modeling 46(3): 991-998 (2006)

Peter Corbett, Peter Murray-Rust: High-Throughput Identification of Chemistry in Life Science Texts. CompLife 2006: 107-118

Toby O. H. White, Martin T. Dove, Richard P. Bruin, Kat F. Austen, Andrew M. Walker, Emilio Artacho, Arnaud Marmier, Steve C. Parker, Peter Murray-Rust, Andrew D. Walkingshaw, Philip A. Couch, Rik P. Tyer, Ilian T. Todorov, Dan J. Wilson: Information Delivery in Computational Mineral Science: The eMinerals Data Handling System. e-Science 2006: 59

Martin T. Dove, Toby O. H. White, Andrew M. Walker, Richard P. Bruin, Kat F. Austen, Emilio Artacho, L. A. Sullivan, Mark Calleja, M. G. Tucker, Rik P. Tyer, Philip A. Couch, Kerstin Kleese van Dam, R. J. Allan, Ilian T. Todorov, Clovis Chapman, Wolfgang Emmerich, Arnaud Marmier, Steve C. Parker, M. O. Blanchard, C. Richard A. Catlow, Z. Du, N. de Leeuw, Gareth J. Lewis, Vassil N. Alexandrov, M. Alfredsson, J. P. Brodholt, Peter Murray-Rust: Computational Grids for Mid-Sized Collaborative Projects: The eMinerals Experience. e-Science 2006: 95

Gemma L. Holliday, Gail J. Bartlett, Daniel E. Almonacid, Noel M. O'Boyle, Peter Murray-Rust, Janet M. Thornton, John B. O. Mitchell: MACiE: a database of enzyme reaction mechanisms. Bioinformatics 21(23): 4315-4316 (2005)

Peter Murray-Rust, John B. O. Mitchell, Henry S. Rzepa: Chemistry in Bioinformatics. BMC Bioinformatics 6: 141 (2005)

Peter Murray-Rust, John B. O. Mitchell, Henry S. Rzepa: Communication and re-use of chemical information in bioscience. BMC Bioinformatics 6: 180 (2005)

Peter Murray-Rust, Henry S. Rzepa, Mark J. Williamson, Egon L. Willighagen: Chemical Markup, XML, and the World Wide Web. 5. Applications of Chemical Metadata in RSS Aggregators. Journal of Chemical Information and Modeling 44(2): 462-469 (2004)

Peter Murray-Rust, Henry S. Rzepa: The Next Big Thing: From Hypermedia to Datuments. J. Digit. Inf. 5(1) (2004)

Peter Murray-Rust, Henry S. Rzepa: Chemical Markup, XML, and the World Wide Web. 4. CML Schema. Journal of Chemical Information and Computer Sciences 43(3): 757-772 (2003)

Peter Murray-Rust, Henry S. Rzepa: XML for scientific publishing. OCLC Systems & Services 19(4): 162-169 (2003)

Peter Murray-Rust, Henry S. Rzepa: Scientific publications in XML - towards a global knowledge base. Data Science Journal 1(1): 84-98 (2002)

Peter Murray-Rust, Henry S. Rzepa: STMML. A markup language for scientific, technical and medical publishing. Data Science Journal 1(2): 1-65 (2002)

Peter Murray-Rust, Henry S. Rzepa: Chemical Markup, XML and the World-Wide Web. 2. Information Objects and the CMLDOM. Journal of Chemical Information and Computer Sciences 41(5): 1113-1123 (2001)

Georgios V. Gkoutos, Peter Murray-Rust, Henry S. Rzepa, Michael Wright: Chemical Markup, XML, and the World-Wide Web. 3. Toward a Signed Semantic Chemical Web of Trust. Journal of Chemical Information and Computer Sciences 41(5): 1124-1130 (2001)

Peter Murray-Rust, Henry S. Rzepa: Chemical Markup, XML, and the Worldwide Web. 1. Basic Principles. Journal of Chemical Information and Computer Sciences 39(6): 928-942 (1999)

Henry S. Rzepa, Peter Murray-Rust, Benjamin J. Whitaker: The Application of Chemical Multipurpose Internet Mail Extensions (Chemical MIME) Internet Standards to Electronic Mail and World Wide Web Information Exchange. Journal of Chemical Information and Computer Sciences 38(6): 976-982 (1998)

Peter Murray-Rust: Chemical Markup Language: A Simple Introduction to Structured Documents. World Wide Web Journal 2(4): 135-147 (1997)

Peter Murray-Rust: JUMBO: An Object-Based XML Browser. World Wide Web Journal 2(4): 197-206 (1997)