Peter Murray-Rust
Affiliations: | University of Stirling, Stirling, Scotland, United Kingdom | ||
| University of Nottingham, Nottingham, England, United Kingdom | |||
| University of Cambridge, Cambridge, England, United Kingdom |
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Sign in to add trainee| Robert C. Glen | grad student | University of Stirling | |
| Egon Willighagen | grad student | (Computational Biology Tree) |
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Publications
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| Harvey MJ, Mason NJ, McLean A, et al. (2015) Standards-based curation of a decade-old digital repository dataset of molecular information. Journal of Cheminformatics. 7: 43 |
| Merkys A, Matusevičiūtė A, Vaitkus A, et al. (2014) Chemical information presentation in the Crystallography Open Database Acta Crystallographica Section a Foundations and Advances. 70: C1710-C1710 |
| Gražulis S, Merkys A, Vaitkus A, et al. (2014) Launching the Theoretical Crystallography Open Database Acta Crystallographica Section a Foundations and Advances. 70: C1736-C1736 |
| Phadungsukanan W, Kraft M, Townsend JA, et al. (2012) The semantics of Chemical Markup Language (CML) for computational chemistry : CompChem. Journal of Cheminformatics. 4: 15 |
| Neylon C, Aerts J, Brown CT, et al. (2012) Changing computational research. The challenges ahead. Source Code For Biology and Medicine. 7: 2 |
| Day N, Downing J, Adams S, et al. (2012) CrystalEye: automated aggregation, semantification and dissemination of the world's open crystallographic data Journal of Applied Crystallography. 45: 316-323 |
| Orchard S, Al-Lazikani B, Bryant S, et al. (2012) Shouldn't enantiomeric purity be included in the 'minimum information about a bioactive entity? Response from the MIABE group Nature Reviews Drug Discovery. 11: 730 |
| Murray-Rust P, Townsend JA, Adams SE, et al. (2011) The semantics of Chemical Markup Language (CML): dictionaries and conventions. Journal of Cheminformatics. 3: 43 |
| Murray-Rust P, Adams SE, Downing J, et al. (2011) The semantic architecture of the World-Wide Molecular Matrix (WWMM). Journal of Cheminformatics. 3: 42 |
| Jessop DM, Adams SE, Willighagen EL, et al. (2011) OSCAR4: a flexible architecture for chemical text-mining. Journal of Cheminformatics. 3: 41 |