|Born||1941 (age 71–72)
|Alma mater||University of Oxford|
|Thesis||A structural investigation of some systems showing charge-transfer properties (1969)|
|Notable awards||Herman Skolnik Award|
Peter Murray-Rust is a contemporary chemist born in Guildford in 1941.
He was educated at Bootham School and Balliol College, Oxford. After obtaining a Doctor of Philosophy he became lecturer in chemistry at the (new) University of Stirling and was first warden of Andrew Stewart Hall of Residence. In 1982 he moved to Glaxo Group Research at Greenford to head Molecular Graphics, Computational Chemistry and later protein structure determination. He was Professor of Pharmacy in the University of Nottingham from 1996-2000, setting up the Virtual School of Molecular Sciences. He is now Reader in Molecular Informatics at the University of Cambridge and Senior Research Fellow of Churchill College.
His research interests have involved the automated analysis of data in scientific publications, creation of virtual communities e.g. The Virtual School of Natural Sciences in the Globewide Network Academy and the Semantic Web. With Henry Rzepa he has extended this to chemistry through the development of markup languages, especially Chemical Markup Language. He campaigns for Open Data, particularly in science, and is on the advisory board of the Open Knowledge Foundation and a co-author of the Panton Principles for Open scientific data. Together with a few other chemists he was a founder member of the Blue Obelisk movement in 2005.
In 2002, Peter Murray-Rust and his colleagues proposed an electronic repository for unpublished chemical data called the World Wide Molecular Matrix (WWMM). In January 2011 a symposium around his career and visions was organized, called Visions of a Semantic Molecular Future. In 2011 he and Henry Rzepa were joint recipients of the Herman Skolnik Award of the American Chemical Society.
- Murray-Rust, P.; Glusker, J. P. (1984). "Directional hydrogen bonding to sp2- and sp3-hybridized oxygen atoms and its relevance to ligand-macromolecule interactions". Journal of the American Chemical Society 106 (4): 1018–1025. doi:10.1021/ja00316a034.
- Murray-Rust, P.; Rzepa, H. S. (1999). "Chemical Markup, XML, and the Worldwide Web. 1. Basic Principles". Journal of Chemical Information and Modeling 39 (6): 928–942. doi:10.1021/ci990052b.
- http://pantonprinciples.org/ Panton Principles for Open data in science
- Guha, R.; Howard, M. T.; Hutchison, G. R.; Murray-Rust, P.; Rzepa, H.; Steinbeck, C.; Wegner, J.; Willighagen, E. L. (2006). "The Blue Obelisk - Interoperability in Chemical Informatics". Journal of Chemical Information and Modeling 46 (3): 991–998. doi:10.1021/ci050400b. PMID 16711717.
- O'Boyle, N. M.; Guha, R.; Willighagen, E. L.; Adams, S. E.; Alvarsson, J.; Bradley, J. C.; Filippov, I. V.; Hanson, R. M.; Hanwell, M. D.; Hutchison, G. R.; James, C. A.; Jeliazkova, N.; Lang, A. S. D.; Langner, K. M.; Lonie, D. C.; Lowe, D. M.; Pansanel, J. R. M.; Pavlov, D.; Spjuth, O.; Steinbeck, C.; Tenderholt, A. L.; Theisen, K. J.; Murray-Rust, P. (2011). "Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on". Journal of Cheminformatics 3 (1): 37. doi:10.1186/1758-2946-3-37. PMC 3205042. PMID 21999342.
- The Blue Obelisk, CDK News, 2005, 2, 43–46
- Jones, R.; MacGillivray, M.; Murray-Rust, P.; Pitman, J.; Sefton, P.; O'Steen, B.; Waites, W. (2011). "Open Bibliography for Science, Technology, and Medicine". Journal of Cheminformatics 3: 47. doi:10.1186/1758-2946-3-47. PMC 3206455. PMID 21999661.
- CCL Archives, 2010, http://ccl.net/chemistry/resources/messages/2010/11/12.005-dir/
- Meeting Archives and publications, 2011, http://www.dspace.cam.ac.uk/handle/1810/238409
- Murray-Rust, P. (2011). "Semantic science and its communication - a personal view". Journal of Cheminformatics 3: 48–11. doi:10.1186/1758-2946-3-48. PMC 3206456. PMID 21999715.
- CCL Archives, 2011, http://www.ccl.net/cgi-bin/ccl/message-new?2011+09+26+014