Publications by authors named "Peter Murray-Rust"

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Mastodon over Mammon: towards publicly owned scholarly knowledge.
Björn Brembs, Adrian Lenardic, Peter Murray-Rust, Leslie Chan, Dasapta Erwin Irawan

R Soc Open Sci· July 2023

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Standards-based curation of a decade-old digital repository dataset of molecular information.
Matthew J Harvey, Nicholas J Mason, Andrew McLean, Peter Murray-Rust, Henry S Rzepa

J Cheminform· August 2015

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Semantic physical science.
Peter Murray-Rust, Henry S Rzepa

J Cheminform· August 2012

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

J Cheminform· August 2012

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Changing computational research. The challenges ahead.
Cameron Neylon, Jan Aerts, C Titus Brown, Simon J Coles, Les Hatton, Peter Murray-Rust

Source Code Biol Med· May 2012

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Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on.
Noel M O'Boyle, Rajarshi Guha, Egon L Willighagen, Samuel E Adams, Jonathan Alvarsson, Peter Murray-Rust

J Cheminform· October 2011

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The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet age.
Sam Adams, Pablo de Castro, Pablo Echenique, Jorge Estrada, Marcus D Hanwell, Peter Murray-Rust

J Cheminform· October 2011

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CMLLite: a design philosophy for CML.
Joe A Townsend, Peter Murray-Rust

J Cheminform· October 2011

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Mining chemical information from open patents.
David M Jessop, Sam E Adams, Peter Murray-Rust

J Cheminform· October 2011

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OSCAR4: a flexible architecture for chemical text-mining.
David M Jessop, Sam E Adams, Egon L Willighagen, Lezan Hawizy, Peter Murray-Rust

J Cheminform· October 2011

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The semantic architecture of the World-Wide Molecular Matrix (WWMM).
Peter Murray-Rust, Sam E Adams, Jim Downing, Joe A Townsend, Yong Zhang

J Cheminform· October 2011

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

J Cheminform· October 2011

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CML: Evolution and design.
Peter Murray-Rust, Henry S Rzepa

J Cheminform· October 2011

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Ami - The chemist's amanuensis.
Brian J Brooks, Adam L Thorn, Matthew Smith, Peter Matthews, Shaoming Chen, Peter Murray-Rust

J Cheminform· October 2011

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Open bibliography for science, technology, and medicine.
Richard Jones, Mark Macgillivray, Peter Murray-Rust, Jim Pitman, Peter Sefton

J Cheminform· October 2011

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Semantic science and its communication - a personal view.
Peter Murray-Rust

J Cheminform· October 2011

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Using workflows to explore and optimise named entity recognition for chemistry.
Balakrishna Kolluru, Lezan Hawizy, Peter Murray-Rust, Junichi Tsujii, Sophia Ananiadou

PLoS One· September 2011

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Minimum information about a bioactive entity (MIABE).
Sandra Orchard, Bissan Al-Lazikani, Steve Bryant, Dominic Clark, Elizabeth Calder, Peter Murray-Rust

Nat Rev Drug Discov· August 2011

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ChemicalTagger: A tool for semantic text-mining in chemistry.
Lezan Hawizy, David M Jessop, Nico Adams, Peter Murray-Rust

J Cheminform· May 2011

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Chemical name to structure: OPSIN, an open source solution.
Daniel M Lowe, Peter T Corbett, Peter Murray-Rust, Robert C Glen

J Chem Inf Model· March 2011

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First-principles thermochemistry for gas phase species in an industrial rutile chlorinator.
Raphael Shirley, Weerapong Phadungsukanan, Markus Kraft, Jim Downing, Nick E Day, Peter Murray-Rust

J Phys Chem A· November 2010

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The BioPAX community standard for pathway data sharing.
Emek Demir, Michael P Cary, Suzanne Paley, Ken Fukuda, Christian Lemer, Peter Murray-Rust

Nat Biotechnol· September 2010

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SPECTRa-T: machine-based data extraction and semantic searching of chemistry e-theses.
Jim Downing, Matt J Harvey, Peter B Morgan, Peter Murray-Rust, Henry S Rzepa

J Chem Inf Model· February 2010

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Chemical Markup, XML and the World-Wide Web. 8. Polymer Markup Language.
Nico Adams, Jerry Winter, Peter Murray-Rust, Henry S Rzepa

J Chem Inf Model· November 2008

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SPECTRa: the deposition and validation of primary chemistry research data in digital repositories.
Jim Downing, Peter Murray-Rust, Alan P Tonge, Peter Morgan, Henry S Rzepa

J Chem Inf Model· August 2008

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