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List of works by Peter Murray-Rust

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The BioPAX community standard for pathway data sharing

scientific article (publication date: September 2010)
The Blue Obelisk-interoperability in chemical informatics

peer-reviewed research article
OSCAR4: a flexible architecture for chemical text-mining

scientific article
Bioclipse: an open source workbench for chemo- and bioinformatics

scientific article published on 22 February 2007
Chemical Name to Structure: OPSIN, an Open Source Solution

scientific article
Chemical Markup, XML, and the Worldwide Web. 1. Basic Principles

scientific article (publication date: November 1999)
Enhancement of the chemical semantic web through the use of InChI identifiers

scientific article (publication date: 2005)
Minimum information about a bioactive entity (MIABE).

scientific article
Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on

scientific article published in 2011
Angular preferences of intermolecular forces around halogen centers: preferred directions of approach of electrophiles and nucleophiles around carbon-halogen bond

scientific article (publication date: July 1986)
MACiE (Mechanism, Annotation and Classification in Enzymes): novel tools for searching catalytic mechanisms

scientific article (publication date: 3 January 2007)
ChemicalTagger: A tool for semantic text-mining in chemistry

scientific article (publication date: 16 May 2011)
Chemical Markup, XML, and the World Wide Web. 4. CML Schema

scientific article (publication date: May 2003)
Online tool to guide decisions for BRCA1/2 mutation carriers

scientific article published on 9 January 2012
Chemical Markup, XML, and the World Wide Web. 5. Applications of Chemical Metadata in RSS Aggregators

scientific article
CML: Evolution and design

scientific article published on October 14, 2011
SPECTRa: the deposition and validation of primary chemistry research data in digital repositories

scientific article
Chemical Markup, XML and the World-Wide Web. 2. Information Objects and the CMLDOM

scientific article (publication date: September 2001)
Directional hydrogen bonding to sp2- and sp3-hybridized oxygen atoms and its relevance to ligand-macromolecule interactions

scientific article (publication date: February 1984)
The solution structure of echistatin: evidence for disulphide bond rearrangement in homologous snake toxins

scientific article published on 01 September 1992
Chemistry for everyone

scientific article (publication date: 7 February 2008)
MACiE: a database of enzyme reaction mechanisms

scientific article (publication date: December 2005)
Geometrical substituent parameters for benzene derivatives: inductive and resonance effects

scientific article (publication date: 1979)
The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet age

scientific article (publication date: 14 October 2011)
Chemical Markup, XML, and the World Wide Web. 7. CMLSpect, an XML Vocabulary for Spectral Data

peer-reviewed article
Chemical Markup, XML, and the World Wide Web. 6. CMLReact, an XML Vocabulary for Chemical Reactions

scientific article
The semantics of Chemical Markup Language (CML): dictionaries and conventions

scientific article (publication date: 14 October 2011)
Mining chemical information from open patents

scientific article (publication date: 14 October 2011)
Representation and use of chemistry in the global electronic age.

scientific article published on 22 October 2004
Chemical markup, XML and the World-Wide Web. 3. Toward a signed semantic chemical web of trust

scientific article published on September 2001
Nuclear magnetic resonance studies of the snake toxin echistatin. 1H resonance assignments and secondary structure

scientific article
Development of chemical markup language (CML) as a system for handling complex chemical content

article
The semantics of Chemical Markup Language (CML) for computational chemistry : CompChem

scientific article
Using workflows to explore and optimise named entity recognition for chemistry

scientific article
X-ray crystallographic studies of a series of penicillin-derived asymmetric inhibitors of HIV-1 protease

scientific article
Corrigendum: The BioPAX community standard for pathway data sharing

correction; published 7 December 2010
Chemical Markup, XML and the World-Wide Web. 8. Polymer Markup Language

scientific article (publication date: 24 November 2008)
CMLLite: a design philosophy for CML.

scientific article
The Application of Chemical Multipurpose Internet Mail Extensions (Chemical MIME) Internet Standards to Electronic Mail and World Wide Web Information Exchange

scientific article
Communication and re-use of chemical information in bioscience

scientific article
Experimental data checker: better information for organic chemists.

scientific article
Protein engineering and design

scientific article
Chemistry in bioinformatics

scientific article
Chemical documents: machine understanding and automated information extraction

scientific article published on 20 October 2004
Changing computational research. The challenges ahead

scientific article (publication date: 2012)
CML tools and information flow in atomic scale simulations

A global resource for computational chemistry

scientific article published on 21 July 2005
CrystalEye: automated aggregation, semantification and dissemination of the world's open crystallographic data

scientific article (publication date: 15 March 2012)
The semantic architecture of the World-Wide Molecular Matrix (WWMM)

scientific article (publication date: 14 October 2011)
Hyperactive molecules and the World-Wide-Web information system

scientific article published in 1995

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