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Peter Murray-Rust
Peter Murray-Rust
Reader in Molecular Informatics, University of Cambridge
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The BioPAX community standard for pathway data sharing
E Demir, MP Cary, S Paley, K Fukuda, C Lemer, I Vastrik, G Wu, ...
Nature biotechnology 28 (9), 935-942, 2010
7212010
Angular preferences of intermolecular forces around halogen centers: preferred directions of approach of electrophiles and nucleophiles around carbon-halogen bond
N Ramasubbu, R Parthasarathy, P Murray-Rust
Journal of the American Chemical Society 108 (15), 4308-4314, 1986
5971986
The Blue Obelisk—interoperability in chemical informatics
R Guha, MT Howard, GR Hutchison, P Murray-Rust, H Rzepa, ...
Journal of chemical information and modeling 46 (3), 991-998, 2006
4852006
Directional hydrogen bonding to sp2-and sp3-hybridized oxygen atoms and its relevance to ligand-macromolecule interactions
P Murray-Rust, JP Glusker
Journal of the American Chemical Society 106 (4), 1018-1025, 1984
3731984
Intermolecular interactions of the carbon-fluorine bond: the crystallographic environment of fluorinated carboxylic acids and related structures
P Murray-Rust, WC Stallings, CT Monti, RK Preston, JP Glusker
Journal of the American Chemical Society 105 (10), 3206-3214, 1983
3641983
Geometrical substituent parameters for benzene derivatives: inductive and resonance effects
A Domenicano, P Murray-Rust
Tetrahedron Letters 20 (24), 2283-2286, 1979
2981979
Chemical markup, XML, and the Worldwide Web. 1. Basic principles
P Murray-Rust, HS Rzepa
Journal of Chemical Information and Computer Sciences 39 (6), 928-942, 1999
2851999
Open data in science
P Murray-Rust
Nature Precedings, 1-1, 2008
2842008
OSCAR4: a flexible architecture for chemical text-mining
DM Jessop, SE Adams, EL Willighagen, L Hawizy, P Murray-Rust
Journal of cheminformatics 3 (1), 1-12, 2011
2252011
Computer retrieval and analysis of molecular geometry. 4. Intermolecular interactions
P Murray-Rust, WDS Motherwell
Journal of the American Chemical Society 101 (15), 4374-4376, 1979
1821979
Molecular geometry of substituted benzene derivatives. IV. Analysis of variance in monosubstituted benzene rings
A Domenicano, P Murray-Rust, A Vaciago
Acta Crystallographica Section B: Structural Science 39 (4), 457-468, 1983
1551983
Chemical name to structure: OPSIN, an open source solution
DM Lowe, PT Corbett, P Murray-Rust, RC Glen
Journal of chemical information and modeling 51 (3), 739-753, 2011
1522011
Bioclipse: an open source workbench for chemo-and bioinformatics
O Spjuth, T Helmus, EL Willighagen, S Kuhn, M Eklund, J Wagener, ...
BMC bioinformatics 8 (1), 1-10, 2007
1472007
Chemical markup, XML, and the World Wide Web. 4. CML schema
P Murray-Rust, HS Rzepa
Journal of chemical information and computer sciences 43 (3), 757-772, 2003
1472003
ChemicalTagger: A tool for semantic text-mining in chemistry
L Hawizy, DM Jessop, N Adams, P Murray-Rust
Journal of cheminformatics 3 (1), 1-13, 2011
1452011
High-throughput identification of chemistry in life science texts
P Corbett, P Murray-Rust
International Symposium on Computational Life Science, 107-118, 2006
1292006
Development of chemical markup language (CML) as a system for handling complex chemical content
P Murray-Rust, HS Rzepa, M Wright
New journal of chemistry 25 (4), 618-634, 2001
1162001
Chemical reaction paths. V. SN1 reaction of tetrahedral molecules
P Murray-Rust, HB Buergi, JD Dunitz
Journal of the American Chemical Society 97 (4), 921-922, 1975
1131975
Chemical markup, XML and the World-Wide Web. 2. Information objects and the CMLDOM
P Murray-Rust, HS Rzepa
Journal of Chemical Information and Computer Sciences 41 (5), 1113-1123, 2001
1092001
Computer retrieval and analysis of molecular geometry. III. Geometry of the β-1'-aminofuranoside fragment
P Murray-Rust, S Motherwell
Acta Crystallographica Section B: Structural Crystallography and Crystal …, 1978
1051978
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Articles 1–20