Department of Chemistry

Murray-Rust Research Group

Publications

Articles which are Open or otherwise free to access/download (without registration, subscription or payment) are marked thus: FREE!

N.B. Murray-Rust group members highlighted in bold.


Publications 2001-2010
Publications 1981-2000
Publications 1980 and earlier




FREE! Chempound - a Web 2.0-inspired repository for physical science data

Authors: Sam Adams - Peter Murray-Rust

Journal: J. Digit. Info., 13(1)


FREE! CrystalEye: Automated aggregation, semantification and dissemination of the world’s Open crystallographic data

Authors: Nick Day - Jim Downing - Sam Adams - N.W. England - Peter Murray-Rust

Journal: J. Appl. Cryst., 45, 316-323

DOI: 10.1107/S0021889812006462



FREE! The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet age

Authors: Sam Adams - Pablo de Castro - Pablo Echenique - Jorge Estrada - Marcus D. Hanwell - Peter Murray-Rust - Paul Sherwood - Jens Thomas - Joe Townsend

Journal: J. Cheminform., 3:38

DOI: 10.1186/1758-2946-3-38


FREE! Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on

Authors: Noel M. O'Boyle - Rajarshi Guha - Egon L. Willighagen - Sam Adams - Jonathan Alvarsson - Richard L. Apodaca - 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 - Jerome Pansanel - Dmitry Pavlov - Ola Spjuth - Christoph Steinbeck - Adam L. Tenderholt - Kevin J. Theisen - Peter Murray-Rust

Journal: J. Cheminform., 3:37

DOI: 10.1186/1758-2946-3-37


FREE! Semantic science and its communication - a personal view

Author: Peter Murray-Rust

Journal: J. Cheminform., 3:48

DOI: 10.1186/1758-2946-3-48


FREE! CMLLite: a design philosophy for CML

Authors: Joe Townsend - Peter Murray-Rust

Journal: J. Cheminform., 3:39

DOI: 10.1186/1758-2946-3-39


FREE! Open Bibliography for Science, Technology, and Medicine

Authors: Richard Jones - Mark MacGillivray - Peter Murray-Rust - Jim Pitman - Peter Sefton - Ben O'Steen - William Waites

Journal: J. Cheminform., 3:47

DOI: 10.1186/1758-2946-3-47


FREE! Mining chemical information from Open patents

Authors: David M. Jessop - Sam Adams - Peter Murray-Rust

Journal: J. Cheminform., 3:40

DOI: 10.1186/1758-2946-3-40


FREE! OSCAR4: a flexible architecture for chemical text-mining

Authors: David M. Jessop - Sam Adams - Egon L. Willighagen - Lezan Hawizy - Peter Murray-Rust

Journal: J. Cheminform., 3:41

DOI: 10.1186/1758-2946-3-41


FREE! The semantic architecture of the World-Wide Molecular Matrix (WWMM)

Authors: Peter Murray-Rust - Sam Adams - Jim Downing - Joe Townsend - YY Zhang

Journal: J. Cheminform., 3:42

DOI: 10.1186/1758-2946-3-42


FREE! The semantics of Chemical Markup Language (CML): dictionaries and conventions

Authors: Peter Murray-Rust - Joe Townsend - Sam Adams - Weerapong Phadungsukanan - Jens Thomas

Journal: J. Cheminform., 3:43

DOI: 10.1186/1758-2946-3-43


FREE! CML: Evolution and Design

Authors: Peter Murray-Rust - Henry S. Rzepa

Journal: J. Cheminform., 3:44

DOI: 10.1186/1758-2946-3-44


FREE! Ami - The Chemist's Amanuensis

Authors: Brian Brooks - Adam Thorn - Matthew Smith - Peter Matthews - Shaoming Chen - Ben O’Steen - Sam Adams - Joe A. Townsend - Peter Murray-Rust

Journal: J. Cheminform., 3:45

DOI: 10.1186/1758-2946-3-45


FREE! Minimum information about a bioactive entity (MIABE)

Authors: Sandra Orchard - Bissan Al-Lazikani - Steve Bryant - Dominic Clark - Elizabeth Calder - Ian Dix - Ola Engkvist - Mark Forster - Anna Gaulton - Michael Gilson - Robert Glen - Martin Grigorov - Kim Hammond-Kosack - Lee Harland - Andrew Hopkins - Christopher Larminie - Nick Lynch - Romeena K. Mann - Peter Murray-Rust - Elena Lo Piparo - Christopher Southan - Christoph Steinbeck - David Wishart - Henning Hermjakob - John Overington - Janet Thornton

Publication: Nature Reviews Drug Discovery, 10, 661-669

DOI: 10.1038/nrd3503


FREE! The Scientist's Amanuensis

Authors: Peter Murray-Rust - Brian Brooks

Publication: The Scientist magazine, July 2011 issue.


FREE! Information extraction from chemical patents

Author: David Jessop

Publication: PhD Thesis, 2011, University of Cambridge


FREE! Automatic analysis and validation of Open polymer data

Author: Nick England

Publication: PhD Thesis, 2011, University of Cambridge


FREE! CIFXML: A schema and toolkit for managing CIFs in XML

Authors: Nick E. Day - Peter Murray-Rust - Simon M. Tyrrell

Journal: J. Appl. Cryst., 2011, 44(3), pp. 628-634

DOI: 10.1107/S0021889811011058


FREE! ChemicalTagger: A tool for Semantic Text-mining in Chemistry

Authors: Lezan Hawizy - David M. Jessop - Nico Adams - Peter Murray-Rust

Journal: J. Cheminf., 2011, 3:17

DOI: 10.1186/1758-2946-3-17


Enhancing Named Entity Recognition For Chemistry Using Workflows

Authors: BalaKrishna Kolluru - Lezan Hawizy - Peter Murray-Rust - Junichi Tsujii - Sophia Ananiadou

Journal: PLoS ONE, 2011, 6(5), e20181

DOI: 10.1371/journal.pone.0020181


Chemical Name to Structure: OPSIN, an Open Source Solution

Authors: Daniel M. Lowe - Peter T. Corbett - Peter Murray-Rust - Robert C. Glen

Journal: J. Chem. Inf. Model., 2011, 51(3), pp. 739–753

DOI: 10.1021/ci100384d