| Title | Authors (identified) | Published In | Identifier(s) | Topic | Published Date |
|---|
| Mining the literature for ethics statements: A step towards standardizing research ethics | [1]Shweata Hegde, [2]Ayush Garg, [3]Peter Murray-Rust, [4]Daniel Mietchen [Full author list] | Research Ideas and Outcomes [curation] | DOI: 10.3897/RIO.8.E94685
| | 2022-12-29 |
| Mining the literature for ethics statements: a step towards standardizing research ethics | [1]Shweata Hegde, [2]Ayush Garg, [3]Peter Murray-Rust, [4]Daniel Mietchen [Full author list] | ARPHA preprints [curation] | DOI: 10.3897/ARPHAPREPRINTS.E94687
| text mining [curation]; research ethics [curation]; FAIR data [curation]; ethics committee [curation]; ethics statement [curation] | 2022-09-12 |
| Unpacking IPCC and IPBES Reports | [1]Shweata Hegde, [2]Ayush Garg, [3]Peter Murray-Rust, [4]Daniel Mietchen [Full author list] | Biodiversity Information Science and Standards [curation] | DOI: 10.3897/BISS.6.94347
| data mining [curation]; text mining [curation]; IPCC report [curation]; IPBES report [curation] | 2022-09-07 |
| pygetpapers: a Python library for automated retrieval of scientific literature | [1]Ayush Garg, [2]Richard Smith-Unna, [3]Peter Murray-Rust [Full author list] | Journal of Open Source Software [curation] | DOI: 10.21105/JOSS.04451
| Python package [curation] | 2022-07-07 |
| A tale of two 'opens': intersections between Free and Open Source Software and Open Scholarship | [1]Jonathan P. Tennant, [2]Ritwik Agarwal, [3]Ksenija Baždarić, [4]David Brassard, [5]Tom Crick, [6]Daniel J. Dunleavy, [7]Thomas Rhys Evans, [8]Nicholas Gardner, [9]Monica Gonzalez-Marquez, [10]Daniel Graziotin, ..., [19]Alberto Marocchino, [20]Paola Masuzzo, [21]Peter Murray-Rust, [22]Sanjay Narayanaswamy, [23]Gustav Nilsonne, ... [Full author list] | | DOI: 10.31235/OSF.IO/2KXQ8
| | 2020-03-06 |
| A tale of two 'opens': intersections between Free and Open Source Software and Open Scholarship | [1]Jonathan P. Tennant, [2]Ritwik Agrawal, [3]Ksenija Baždarić, [4]David Brassard, [5]Tom Crick, [6]Daniel J. Dunleavy, [7]Thomas Rhys Evans, [8]Nicholas Gardner, [9]Monica Gonzalez-Marquez, [10]Daniel Graziotin, ..., [20]Alberto Marocchino, [21]Paola Masuzzo, [22]Peter Murray-Rust, [23]Sanjay Narayanaswamy, [24]Gustav Nilsonne, ... [Full author list] | | DOI: 10.34657/5085
| open-source software [curation]; knowledge infrastructure [curation] | 2020-01-01 |
| CEVOpen: Can machines curate the Open phytochemistry literature? | [1]Peter Murray-Rust, [2]Clive Adams, [3]Clyde Davies, [4]Emanuel Faria, [5]Ambarish Kumar, [6]Gitanjali Yadav [Full author list] | Zenodo [curation], ChemCuration 2019 Poster Collection [curation] | DOI: 10.5281/ZENODO.3558784
| phytochemistry [curation]; scientific literature [curation] | 2019-11-30 |
| A machine-compiled microbial supertree from figure-mining thousands of papers | [1]Ross Mounce, [2]Peter Murray-Rust, [3]Matthew Wills [Full author list] | Research Ideas and Outcomes [curation] | DOI: 10.3897/RIO.3.E13589
| | 2017-05-09 |
| ContentMine/Hypothes.is Proposal | [1]Peter Murray-Rust, [2]Maryann E. Martone, [3]Jennifer C. Molloy, [4]Tom Arrow, [5]Mark MacGillivray, [6]Chris Kittel, [7]Stefan Kasberger, [8]Graham Steel, [9]Charles Oppenheim, [10]Anusha Ranganathan, [11]Jonathan P. Tennant, [12]Jon Udell [Full author list] | Research Ideas and Outcomes [curation] | DOI: 10.3897/RIO.2.E8424
| | 2016-03-10 |
| Standards-based curation of a decade-old digital repository dataset of molecular information | [1]Matthew J Harvey, [2]Nicholas J Mason, [3]Andrew McLean, [4]Peter Murray-Rust, [5]Henry S. Rzepa, [6]James J P Stewart [Full author list] | Journal of Cheminformatics [curation] | DOI: 10.1186/S13321-015-0093-3
PubMed: 26322133 | digital library [curation]; data curation [curation] | 2015-01-01 |
| Software Process Improvement and Roadmapping – A Roadmap for Implementing IEC 62304 in Organizations Developing and Maintaining Medical Device Software | [1]Peter Murray-Rust, [2]Derek Flood, [3]Fergal McCaffery [Full author list] | Communications in Computer and Information Science [curation] | DOI: 10.1007/978-3-319-19860-6_3
| software [curation]; medical device [curation] | 2015-01-01 |
| AMI-diagram: Mining Facts from Images | [1]Peter Murray-Rust, [2]Richard Smith-Unna, [3]Ross Mounce [Full author list] | D-Lib Magazine [curation] | DOI: 10.1045/NOVEMBER14-MURRAY-RUST
| | 2014-11-01 |
| The ContentMine Scraping Stack: Literature-scale Content Mining with Community-maintained Collections of Declarative Scrapers | [1]Richard Smith-Unna, [2]Peter Murray-Rust [Full author list] | D-Lib Magazine [curation] | DOI: 10.1045/NOVEMBER14-SMITH-UNNA
| ContentMine [curation] | 2014-11-01 |
| The Social, Political and Legal Aspects of Text and Data Mining (TDM) | [1]Michelle Brook, [2]Peter Murray-Rust, [3]Charles Oppenheim [Full author list] | D-Lib Magazine [curation] | DOI: 10.1045/NOVEMBER14-BROOK
| data mining [curation] | 2014-11-01 |
| Shouldn't enantiomeric purity be included in the 'minimum information about a bioactive entity? Response from the MIABE group | [1]Sandra Orchard, [2]Bissan Al-Lazikani, [3]Steve Bryant, [4]Dominic Clark, [5]Elizabeth Calder, [6]Ian Dix, [7]Ola Engkvist, [8]Mark Forster, [9]Anna Gaulton, [10]Michael Gilson, ..., [17]Nick Lynch, [18]Romeena K. Mann, [19]Peter Murray-Rust, [20]Elena Lo Piparo, [21]Christopher Southan, ... [Full author list] | Nature Reviews Drug Discovery [curation] | DOI: 10.1038/NRD3503-C2
| enantiomer [curation] | 2012-09-01 |
| The semantics of Chemical Markup Language (CML) for computational chemistry : CompChem | [1]Weerapong Phadungsukanan, [2]Markus Kraft, [3]Joe A Townsend, [4]Peter Murray-Rust [Full author list] | Journal of Cheminformatics [curation] | DOI: 10.1186/1758-2946-4-15
PubMed: 22870956 | computational chemistry [curation]; Chemical Markup Language [curation] | 2012-08-07 |
| Semantic physical science | [1]Peter Murray-Rust, [2]Henry S. Rzepa [Full author list] | Journal of Cheminformatics [curation] | DOI: 10.1186/1758-2946-4-14
PubMed: 22856527 | | 2012-08-03 |
| Erratum: Corrigendum: The BioPAX community standard for pathway data sharing | [1]Emek Demir, [2]Michael P Cary, [3]Suzanne Paley, [4]Ken Fukuda, [5]Christian Lemer, [6]Imre Vastrik, [7]Guanming Wu, [8]Peter D'Eustachio, [9]Carl Schaefer, [10]Joanne Luciano, ..., [37]Peter Hornbeck, [38]Augustin Luna, [39]Peter Murray-Rust, [40]Eric Neumann, [41]Oliver Reubenacker, ... [Full author list] | Nature Biotechnology [curation] | DOI: 10.1038/NBT0412-365C
| data sharing [curation]; The BioPAX community standard for pathway data sharing [curation] | 2012-04-01 |
| CrystalEye: automated aggregation, semantification and dissemination of the world's open crystallographic data | [1]Nick Day, [2]Jim Downing, [2-Q47455639]Jim Downing, [3]Sam E. Adams, [4]N. W. England, [5]Peter Murray-Rust [Full author list] | Journal of Applied Crystallography [curation] | DOI: 10.1107/S0021889812006462
| database [curation]; crystallography [curation]; linked data [curation] | 2012-03-15 |
| Online tool to guide decisions for BRCA1/2 mutation carriers | [1]Allison W. Kurian, [2]Diego F Munoz, [3]Peter Murray-Rust, [4]Elizabeth A Schackmann, [5]Michael Smith, [6]Lauren Clarke, [7]Meredith A Mills, [8]Sylvia Plevritis [Full author list] | Journal of Clinical Oncology [curation] | DOI: 10.1200/JCO.2011.38.6060
PubMed: 22231042 | BRCA1 Mutation [curation] | 2012-01-09 |
| Changing computational research. The challenges ahead | [1]Cameron Neylon, [2]Jan Aerts, [3]C. Titus Brown, [4]Simon J. Coles, [5]Les Hatton, [6]Daniel Lemire, [7]K Jarrod Millman, [8]Peter Murray-Rust, [9]Fernando Pérez, [10]Neil Saunders, [11]Nigam Shah, [12]Arfon Smith, [13]Gaël Varoquaux, [14]Egon Willighagen [Full author list] | Source Code for Biology and Medicine [curation] | DOI: 10.1186/1751-0473-7-2
PubMed: 22640749 | information system [curation]; computational research [curation] | 2012-01-01 |
| Open Bibliography for Science, Technology, and Medicine | [1]Richard Jones, [2]Mark Macgillivray, [3]Peter Murray-Rust, [4]Jim Pitman, [5]Peter Sefton, [6]Ben O'Steen, [7]William Waites [Full author list] | Journal of Cheminformatics [curation] | DOI: 10.1186/1758-2946-3-47
PubMed: 21999661 | | 2011-10-14 |
| Semantic science and its communication - a personal view | [1]Peter Murray-Rust [Full author list] | Journal of Cheminformatics [curation] | DOI: 10.1186/1758-2946-3-48
PubMed: 21999715 | | 2011-10-14 |
| Ami - The chemist's amanuensis | [1]Brian J Brooks, [2]Adam L Thorn, [3]Matthew Smith, [4]Peter Matthews, [5]Shaoming Chen, [6]Ben O'Steen, [7]Sam E. Adams, [8]Joe A Townsend, [9]Peter Murray-Rust [Full author list] | Journal of Cheminformatics [curation] | DOI: 10.1186/1758-2946-3-45
PubMed: 21999587 | | 2011-10-14 |
| CML: Evolution and design | [1]Peter Murray-Rust, [2]Henry S. Rzepa [Full author list] | Journal of Cheminformatics [curation] | DOI: 10.1186/1758-2946-3-44
PubMed: 21999549 | history [curation]; design [curation]; Chemical Markup Language [curation] | 2011-10-14 |
| The semantics of Chemical Markup Language (CML): dictionaries and conventions | [1]Peter Murray-Rust, [2]Joe A Townsend, [3]Sam E. Adams, [4]Weerapong Phadungsukanan, [5]Jens Thomas [Full author list] | Journal of Cheminformatics [curation] | DOI: 10.1186/1758-2946-3-43
PubMed: 21999509 | semantics [curation]; Chemical Markup Language [curation] | 2011-10-14 |
| The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet age | [1]Sam E. Adams, [2]Pablo de Castro, [3]Pablo Echenique, [4]Jorge Estrada, [5]Marcus D. Hanwell, [6]Peter Murray-Rust, [7]Paul Sherwood, [8]Jens Thomas, [9]Joe Townsend [Full author list] | Journal of Cheminformatics [curation] | DOI: 10.1186/1758-2946-3-38
PubMed: 21999363 | Internet [curation]; quantum chemistry [curation]; collaboration [curation]; data management [curation]; data collaboration [curation] | 2011-10-14 |
| The semantic architecture of the World-Wide Molecular Matrix (WWMM) | [1]Peter Murray-Rust, [2]Sam E. Adams, [3]Jim Downing, [3-Q47455639]Jim Downing, [4]Joe A Townsend, [5]Yong Zhang [Full author list] | Journal of Cheminformatics [curation] | DOI: 10.1186/1758-2946-3-42
PubMed: 21999475 | | 2011-10-14 |
| Mining chemical information from open patents | [1]David M Jessop, [2]Sam E. Adams, [3]Peter Murray-Rust [Full author list] | Journal of Cheminformatics [curation] | DOI: 10.1186/1758-2946-3-40
PubMed: 21999425 | patent [curation]; text mining [curation] | 2011-10-14 |
| CMLLite: a design philosophy for CML. | [1]Joe A Townsend, [2]Peter Murray-Rust [Full author list] | Journal of Cheminformatics [curation] | DOI: 10.1186/1758-2946-3-39
PubMed: 21999395 | Chemical Markup Language [curation] | 2011-10-14 |
| Minimum information about a bioactive entity (MIABE). | [1]Sandra Orchard, [2]Bissan Al-Lazikani, [3]Steve Bryant, [4]Dominic Clark, [5]Elizabeth Calder, [6]Ian Dix, [7]Ola Engkvist, [8]Mark Forster, [9]Anna Gaulton, [10]Michael Gilson, ..., [17]Nick Lynch, [18]Romeena K Mann, [19]Peter Murray-Rust, [20]Elena Lo Piparo, [21]Christopher Southan, ... [Full author list] | Nature Reviews Drug Discovery [curation] | DOI: 10.1038/NRD3503
PubMed: 21878981 | | 2011-08-31 |
| ChemicalTagger: A tool for semantic text-mining in chemistry | [1]Lezan Hawizy, [2]David M Jessop, [3]Nico Adams, [4]Peter Murray-Rust [Full author list] | Journal of Cheminformatics [curation] | DOI: 10.1186/1758-2946-3-17
PubMed: 21575201 | chemistry [curation]; text mining [curation] | 2011-05-16 |
| Chemical Name to Structure: OPSIN, an Open Source Solution | [1]Daniel M. Lowe, [1-Q29389599]Daniel M Lowe, [2]Peter T. Corbett, [3]Peter Murray-Rust, [4]Robert C Glen [Full author list] | Journal of Chemical Information and Modeling [curation] | DOI: 10.1021/CI100384D
PubMed: 21384929 | text mining [curation]; open-source software [curation]; IUPAC nomenclature of chemistry [curation]; OPSIN [curation]; chemical name [curation] | 2011-03-28 |
| Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on | [1]Noel O'Boyle, [2]Rajarshi Guha, [3]Egon Willighagen, [4]Samuel E Adams, [5]Jonathan Alvarsson, [6]Jean-Claude Bradley, [7]Igor V Filippov, [8]Robert M. Hanson, [9]Marcus D. Hanwell, [10]Geoffrey R. Hutchison, ..., [21]Adam L Tenderholt, [22]Kevin J Theisen, [23]Peter Murray-Rust [Full author list] | Journal of Cheminformatics [curation] | DOI: 10.1186/1758-2946-3-37
PubMed: 21999342 | open science [curation]; open data [curation]; open standard [curation]; open-source software [curation]; Blue Obelisk [curation]; data sharing [curation] | 2011-01-01 |
| OSCAR4: a flexible architecture for chemical text-mining | [1]David M Jessop, [2]Sam E. Adams, [3]Egon Willighagen, [4]Lezan Hawizy, [5]Peter Murray-Rust [Full author list] | Journal of Cheminformatics [curation] | DOI: 10.1186/1758-2946-3-41
PubMed: 21999457 | chemistry [curation]; text mining [curation] | 2011-01-01 |
| Using workflows to explore and optimise named entity recognition for chemistry | [1]Balakrishna Kolluru, [2]Lezan Hawizy, [3]Peter Murray-Rust, [4]Jun'ichi Tsujii, [5]Sofia Ananiadou [Full author list] | PLOS One [curation] | DOI: 10.1371/JOURNAL.PONE.0020181
PubMed: 21633495 | named-entity recognition [curation]; workflow [curation] | 2011-01-01 |
| Erratum: Corrigendum: The BioPAX community standard for pathway data sharing | [1]Emek Demir, [2]Michael P Cary, [3]Suzanne Paley, [4]Ken Fukuda, [5]Christian Lemer, [6]Imre Vastrik, [7]Guanming Wu, [8]Peter D'Eustachio, [9]Carl Schaefer, [10]Joanne Luciano, ..., [37]Peter Hornbeck, [38]Augustin Luna, [39]Peter Murray-Rust, [40]Eric Neumann, [41]Oliver Reubenacker, ... [Full author list] | Nature Biotechnology [curation] | DOI: 10.1038/NBT1210-1308C
| data sharing [curation]; The BioPAX community standard for pathway data sharing [curation] | 2010-12-07 |
| First-principles thermochemistry for gas phase species in an industrial rutile chlorinator | [1]Raphael Shirley, [2]Weerapong Phadungsukanan, [3]Markus Kraft, [4]Jim Downing, [4-Q47455639]Jim Downing, [5]Nick E Day, [6]Peter Murray-Rust [Full author list] | Journal of Physical Chemistry A [curation] | DOI: 10.1021/JP106795P
PubMed: 20923209 | | 2010-11-01 |
| The BioPAX community standard for pathway data sharing | [1]Emek Demir, [2]Michael P Cary, [3]Suzanne Paley, [4]Ken Fukuda, [5]Christian Lemer, [6]Imre Vastrik, [7]Guanming Wu, [8]Peter D'Eustachio, [9]Carl Schaefer, [10]Joanne Luciano, ..., [37]Peter Hornbeck, [38]Augustin Luna, [39]Peter Murray-Rust, [40]Eric Neumann, [41]Oliver Ruebenacker, ... [Full author list] | Nature Biotechnology [curation] | DOI: 10.1038/NBT.1666
PubMed: 20829833 | biotechnology [curation]; microbiology [curation]; BioPAX [curation]; data sharing [curation] | 2010-09-01 |
| SPECTRa-T: machine-based data extraction and semantic searching of chemistry e-theses | [1]Jim Downing, [1-Q47455639]Jim Downing, [2]Matt J Harvey, [3]Peter B Morgan, [4]Peter Murray-Rust, [5]Henry S. Rzepa, [6]Diana C Stewart, [7]Alan P Tonge, [8]Joe A Townsend [Full author list] | Journal of Chemical Information and Modeling [curation] | DOI: 10.1021/CI9003688
PubMed: 20088574 | data extraction [curation] | 2010-02-01 |
| Panton Principles | [0]Rufus Pollock, [1]John Wilbanks, [2]Peter Murray-Rust, [3]Cameron Neylon [Full author list] | | | | 2009-07-01 |
| Chemical Markup, XML and the World-Wide Web. 8. Polymer Markup Language | [1]Nico Adams, [2]Jerry Winter, [3]Peter Murray-Rust, [4]Henry S. Rzepa [Full author list] | Journal of Chemical Information and Modeling [curation] | DOI: 10.1021/CI8002123
PubMed: 18991372 | Extensible Markup Language [curation]; polymer [curation]; Chemical Markup Language [curation] | 2008-11-24 |
| SPECTRa: the deposition and validation of primary chemistry research data in digital repositories | [1]Jim Downing, [1-Q47455639]Jim Downing, [2]Peter Murray-Rust, [3]Alan P Tonge, [4]Peter Morgan, [5]Henry S. Rzepa, [6]Fiona Cotterill, [7]Nick Day, [8]Matt J Harvey [Full author list] | Journal of Chemical Information and Modeling [curation] | DOI: 10.1021/CI7004737
PubMed: 18661966 | digital library [curation] | 2008-07-29 |
| Using chemical structure in open-source chemical text mining. | [1]PT Corbett, [2]Peter Murray-Rust [Full author list] | Chemistry Central Journal [curation] | DOI: 10.1186/1752-153X-2-S1-S10
| text mining [curation]; open-source software [curation] | 2008-03-26 |
| Open Data in Science | [1]Peter Murray-Rust [Full author list] | Serials Review [curation] | DOI: 10.1080/00987913.2008.10765152
| open data [curation] | 2008-03-01 |
| Chemistry for everyone | [1]Peter Murray-Rust [Full author list] | Nature [curation] | DOI: 10.1038/451648A
PubMed: 18256659 | chemistry [curation]; open science [curation]; relevance of cheminformatics [curation] | 2008-02-07 |
| Open Data in Science | [1]Peter Murray-Rust [Full author list] | Nature Precedings [curation] | DOI: 10.1038/NPRE.2008.1526.1
| open data [curation] | 2008-01-18 |
| Chemical Markup, XML, and the World Wide Web. 7. CMLSpect, an XML Vocabulary for Spectral Data | [1]Stefan Kuhn, [2]Tobias Helmus, [3]Robert J. Lancashire, [4]Peter Murray-Rust, [5]Henry S. Rzepa, [6]Christoph Steinbeck, [7]Egon Willighagen [Full author list] | Journal of Chemical Information and Modeling [curation] | DOI: 10.1021/CI600531A
PubMed: 17887743 | Extensible Markup Language [curation]; spectroscopy [curation]; Chemical Markup Language [curation] | 2007-11-01 |
| Bioclipse: an open source workbench for chemo- and bioinformatics | [1]Ola Spjuth, [2]Tobias Helmus, [3]Egon Willighagen, [4]Stefan Kuhn, [5]Martin Eklund, [6]Johannes Wagener, [7]Peter Murray-Rust, [8]Christoph Steinbeck, [9]Jarl Wikberg [Full author list] | BMC Bioinformatics [curation] | DOI: 10.1186/1471-2105-8-59
PubMed: 17316423 | open source [curation]; bioinformatics [curation]; cheminformatics [curation]; open-source software [curation]; Bioclipse [curation] | 2007-02-22 |
| Computational Grids for Mid-Sized Collaborative Projects: The eMinerals Experience | [1]M.T. Dove, [2]T.O.H. White, [3]A.M. Walker, [4]R.P. Bruin, [5]K.F. Austen, [6]E. Artacho, [7]L.A. Sullivan, [8]M. Calleja, [9]M.G. Tucker, [10]R.P. Tyer, ..., [25]M. Alfredsson, [26]J.P. Brodholt, [27]Peter Murray-Rust [Full author list] | | DOI: 10.1109/E-SCIENCE.2006.261179
| collaboration [curation] | 2006-12-01 |
| Information Delivery in Computational Mineral Science: The eMinerals Data Handling System | [1]Toby White, [2]Martin Dove, [3]Richard Bruin, [4]Kat Austen, [5]Andrew M Walker, [6]Emilio Artacho, [7]Arnaud Marmier, [8]Steve Parker, [9]Peter Murray-Rust, [10]Andrew Walkingshaw, [11]Philip Couch, [12]Rik Tyer, [13]Ilian Todorov, [14]Dan Wilson [Full author list] | | DOI: 10.1109/E-SCIENCE.2006.261143
| | 2006-12-01 |
| MACiE (Mechanism, Annotation and Classification in Enzymes): novel tools for searching catalytic mechanisms | [1]Gemma L. Holliday, [2]Daniel E Almonacid, [3]Gail J Bartlett, [4]Noel O'Boyle, [5]James Torrance, [6]Peter Murray-Rust, [7]John Blayney Owen Mitchell, [8]Janet Thornton [Full author list] | Nucleic Acids Research [curation] | DOI: 10.1093/NAR/GKL774
PubMed: 17082206 | MACiE [curation] | 2006-11-01 |
| Molecular dynamics in a grid computing environment: experiences using DL_POLY_3 within theeMinerals escience project | [1]M. T. Dove, [2]L. A. Sullivan, [3]A. M. Walker, [4]R. P. Bruin, [5]T. O. H. White, [6]K. Trachenko, [7]Peter Murray-Rust, [8]I. T. Todorov, [9]R. P. Tyer, [10]P. A. Couch, [11]K. Kleese van Dam, [12]W. Smith [Full author list] | Molecular Simulation [curation] | DOI: 10.1080/08927020600883293
| grid computing [curation] | 2006-10-01 |
| The Blue Obelisk-interoperability in chemical informatics | [1]Rajarshi Guha, [2]Michael T Howard, [3]Geoffrey R. Hutchison, [4]Peter Murray-Rust, [5]Henry S. Rzepa, [6]Christoph Steinbeck, [7]Jörg K. Wegner, [7-Q42783959]Jörg Kurt Wegner, [8]Egon Willighagen [Full author list] | Journal of Chemical Information and Modeling [curation] | DOI: 10.1021/CI050400B
PubMed: 16711717 | open science [curation]; interoperability [curation]; cheminformatics [curation]; informatics [curation]; Blue Obelisk [curation] | 2006-02-22 |
| Chemical Markup, XML, and the World Wide Web. 6. CMLReact, an XML Vocabulary for Chemical Reactions | [1]Gemma L. Holliday, [2]Peter Murray-Rust, [3]Henry S. Rzepa [Full author list] | Journal of Chemical Information and Modeling [curation] | DOI: 10.1021/CI0502698
PubMed: 16426051 | Extensible Markup Language [curation]; chemical reaction [curation]; Chemical Markup Language [curation] | 2006-01-01 |
| MACiE: a database of enzyme reaction mechanisms | [1]Gemma L. Holliday, [2]Gail J Bartlett, [3]Daniel E Almonacid, [4]Noel O'Boyle, [5]Peter Murray-Rust, [6]Janet Thornton, [7]John B O Mitchell [Full author list] | Bioinformatics [curation] | DOI: 10.1093/BIOINFORMATICS/BTI693
PubMed: 16188925 | database [curation]; enzymatic reaction [curation] | 2005-12-01 |
| A global resource for computational chemistry | [1]Peter Murray-Rust, [2]Henry S. Rzepa, [3]James J P Stewart, [4]Yong Zhang [Full author list] | Journal of Molecular Modeling [curation] | DOI: 10.1007/S00894-005-0278-1
PubMed: 16086187 | computational chemistry [curation] | 2005-07-21 |
| Communication and re-use of chemical information in bioscience | [1]Peter Murray-Rust, [2]John B O Mitchell, [3]Henry S. Rzepa [Full author list] | BMC Bioinformatics [curation] | DOI: 10.1186/1471-2105-6-180
PubMed: 16026614 | | 2005-07-18 |
| Chemistry in bioinformatics | [1]Peter Murray-Rust, [2]John B O Mitchell, [3]Henry S. Rzepa [Full author list] | BMC Bioinformatics [curation] | DOI: 10.1186/1471-2105-6-141
PubMed: 15941476 | bioinformatics [curation] | 2005-06-07 |
| CML tools and information flow in atomic scale simulations | [1]J. Wakelin, [2]Peter Murray-Rust, [3]Simon Tyrrell, [4]Y. Zhang, [5]H. S. Rzepa, [6]A. García [Full author list] | Molecular Simulation [curation] | DOI: 10.1080/08927020500065850
| | 2005-04-01 |
| Enhancement of the chemical semantic web through the use of InChI identifiers | [1]Simon J. Coles, [2]Nick E. Day, [3]Peter Murray-Rust, [4]Henry S. Rzepa, [5]Yong Zhang [Full author list] | Organic and Biomolecular Chemistry [curation] | DOI: 10.1039/B502828K
PubMed: 15889163 | organic chemistry [curation]; Semantic Web [curation]; International Chemical Identifier [curation] | 2005-01-01 |
| CMLSnap: Animated Reaction Mechanisms | [1]Gemma L. Holliday, [2]John B. O. Mitchell, [3]Peter Murray-Rust [Full author list] | Internet Journal of Chemistry [curation] | | SVG [curation]; animation [curation]; Chemical Markup Language [curation] | 2004-10-26 |
| Representation and use of chemistry in the global electronic age. | [1]Peter Murray-Rust, [2]Henry S. Rzepa, [3]Simon M Tyrrell, [4]Yong Zhang [Full author list] | Organic and Biomolecular Chemistry [curation] | DOI: 10.1039/B410732B
PubMed: 15534696 | | 2004-10-22 |
| Chemical documents: machine understanding and automated information extraction | [1]Joe A Townsend, [2]Sam E. Adams, [3]Christopher A Waudby, [4]Vanessa K de Souza, [5]Jonathan M. Goodman, [6]Peter Murray-Rust [Full author list] | Organic and Biomolecular Chemistry [curation] | DOI: 10.1039/B411033A
PubMed: 15534707 | information extraction [curation] | 2004-10-20 |
| Chemical Markup, XML, and the World Wide Web. 5. Applications of Chemical Metadata in RSS Aggregators | [1]Peter Murray-Rust, [2]Henry S. Rzepa, [3]Mark J. Williamson, [4]Egon Willighagen [Full author list] | Journal of Chemical Information and Computer Sciences [curation] | DOI: 10.1021/CI034244P
PubMed: 15032525 | Extensible Markup Language [curation]; RSS [curation]; information system [curation]; metadata [curation]; Chemical Markup Language [curation]; Jmol [curation]; JChemPaint [curation] | 2004-03-01 |
| The Next Big Thing: From Hypermedia to Datuments | [1]Peter Murray-Rust, [2]Henry S. Rzepa [Full author list] | | | | 2004-01-01 |
| Towards the chemical semantic web. An introduction to RSS | [1]Peter Murray-Rust, [2]Henry S. Rzepa [Full author list] | Internet Journal of Chemistry [curation] | | chemistry [curation]; RSS [curation]; Semantic Web [curation] | 2003-05-15 |
| Chemical Markup, XML, and the World Wide Web. 4. CML Schema | [1]Peter Murray-Rust, [2]Henry S. Rzepa [Full author list] | Journal of Chemical Information and Computer Sciences [curation] | DOI: 10.1021/CI0256541
PubMed: 12767134 | Extensible Markup Language [curation]; information system [curation]; XML schema [curation]; Chemical Markup Language [curation] | 2003-05-01 |
| Scientific publications in XML - towards a global knowledge base | [1]Peter Murray-Rust, [2]Henry S. Rzepa [Full author list] | Data Science Journal [curation] | DOI: 10.2481/DSJ.1.84
| Extensible Markup Language [curation]; knowledge base [curation] | 2002-01-01 |
| STMML. A markup language for scientific, technical and medical publishing | [1]Peter Murray-Rust, [2]Henry S. Rzepa [Full author list] | Data Science Journal [curation] | DOI: 10.2481/DSJ.1.128
| | 2002-01-01 |
| Chemical markup, XML and the World-Wide Web. 2. Information objects and the CMLDOM | [1]Peter Murray-Rust, [1-Q908710]Peter Murray-Rust, [2]H S Rzepa, [2-Q5727848]Henry S. Rzepa [Full author list] | Journal of Chemical Information and Computer Sciences [curation] | DOI: 10.1021/CI000404A
PubMed: 11604012 | Document Object Model [curation]; Extensible Markup Language [curation]; information system [curation]; Chemical Markup Language [curation] | 2001-09-01 |
| Chemical markup, XML and the World-Wide Web. 3. Toward a signed semantic chemical web of trust | [1]Gkoutos GV, [2]Peter Murray-Rust, [3]Henry S. Rzepa, [4]Wright M [Full author list] | Journal of Chemical Information and Computer Sciences [curation] | DOI: 10.1021/CI000406V
PubMed: 11604013 | Extensible Markup Language [curation]; information system [curation] | 2001-09-01 |
| A new publishing paradigm: STM articles as part of the semantic web | [1]Henry S. Rzepa, [2]Peter Murray-Rust [Full author list] | Learned Publishing [curation] | DOI: 10.1087/095315101750240421
| Semantic Web [curation] | 2001-07-01 |
| Development of chemical markup language (CML) as a system for handling complex chemical content | [1]Peter Murray-Rust, [2]Henry S. Rzepa, [3]Michael Wright [Full author list] | New Journal of Chemistry [curation] | DOI: 10.1039/B008780G
| catalysis [curation]; general chemistry [curation]; Chemical Markup Language [curation] | 2001-01-01 |
| A universal approach to web-based chemistry using XML and CML | [2]Henry S. Rzepa, [3]Michael Wright, [3-Q908710]Peter Murray-Rust, [4]Stephen Zara [Full author list] | Chemical Communications [curation] | DOI: 10.1039/B002483J
| Extensible Markup Language [curation]; catalysis [curation]; Chemical Markup Language [curation] | 2000-01-01 |
| Chemical Markup, XML, and the Worldwide Web. 1. Basic Principles | [1]Peter Murray-Rust, [2]Henry S. Rzepa [Full author list] | Journal of Chemical Information and Computer Sciences [curation] | DOI: 10.1021/CI990052B
| Extensible Markup Language [curation]; information system [curation]; Chemical Markup Language [curation] | 1999-11-01 |
| The globalization of crystallographic knowledge | [1]Peter Murray-Rust [Full author list] | Acta Crystallographica Section D: Biological Crystallography [curation] | DOI: 10.1107/S0907444998009366
PubMed: 10089481 | globalisation [curation] | 1998-11-01 |
| The Application of Chemical Multipurpose Internet Mail Extensions (Chemical MIME) Internet Standards to Electronic Mail and World Wide Web Information Exchange | [1]Henry S. Rzepa, [2]Peter Murray-Rust, [3]Benjamin J. Whitaker [Full author list] | Journal of Chemical Information and Computer Sciences [curation] | DOI: 10.1021/CI9803233
| general chemistry [curation]; media type [curation] | 1998-11-01 |
| The World-Wide Web as a chemical information tool | [1]Peter Murray-Rust, [2]Henry S. Rzepa, [3]Benjamin J. Whitaker [Full author list] | Chemical Society Reviews [curation] | DOI: 10.1039/CS9972600001
| | 1997-01-01 |
| The case for content integrity in electronic chemistry journals: The CLIC project | [1]David James, [2]Benjamin J. Whitaker, [3]Christopher Hildyard, [4]Henry S. Rzepa, [5]Omer Casher, [6]Jonathan M. Goodman, [6-Q46155617]Jonathan M. Goodman, [7]David Riddick, [8]Peter Murray-Rust [Full author list] | New Review of Information Networking [curation] | DOI: 10.1080/13614579509516846
| academic publishing [curation] | 1995-01-01 |
| Hyperactive molecules and the World-Wide-Web information system | [1]Omer Casher, [2]Gudge K. Chandramohan, [3]Martin J. Hargreaves, [4]Christopher Leach, [5]Peter Murray-Rust, [6]Henry S. Rzepa, [7]Roger Sayle, [8]Benjamin J. Whitaker [Full author list] | Journal of the Chemical Society. Perkin Transactions II [curation] | DOI: 10.1039/P29950000007
| World Wide Web [curation] | 1995-01-01 |
| Bioinformatics and drug discovery | [1]Peter Murray-Rust [Full author list] | Current Opinion in Biotechnology [curation] | DOI: 10.1016/0958-1669(94)90089-2
PubMed: 7765748 | bioinformatics [curation]; drug discovery [curation] | 1994-12-01 |
| X-ray crystallographic studies of a series of penicillin-derived asymmetric inhibitors of HIV-1 protease | [1]H Jhoti, [2]O M Singh, [3]M P Weir, [4]R Cooke, [5]Peter Murray-Rust, [6]A Wonacott [Full author list] | Biochemistry [curation] | DOI: 10.1021/BI00194A005
PubMed: 8031777 | | 1994-07-19 |
| A series of penicillin-derived C2-symmetric inhibitors of HIV-1 proteinase: structural and modeling studies | [1]Wonacott A, [2]Cooke R, [3]Hayes FR, [4]Hann MM, [5]Jhoti H, [6]McMeekin P, [7]Mistry A, [8]Peter Murray-Rust, [9]Singh OM, [10]Weir MP [Full author list] | Journal of Medicinal Chemistry [curation] | DOI: 10.1021/JM00073A010
PubMed: 8230097 | | 1993-10-01 |
| The stereochemistry of the recognition of nitrogen-containing heterocycles by hydrogen bonding and by metal ions | [1]Carrell AB, [2]Shimoni L, [3]Carrell CJ, [4]Bock CW, [5]Peter Murray-Rust, [6]Glusker JP [Full author list] | Receptor [curation] | PubMed: 8348082 | | 1993-01-01 |
| Protein engineering and design | [1]Tom Blundell, [2]Elliott G, [3]Gardner SP, [4]Tim Hubbard, [5]Islam S, [6]Johnson M, [7]Mantafounis D, [8]Peter Murray-Rust, [9]John P. Overington, [10]Pitts JE [Full author list] | Philosophical Transactions of the Royal Society B [curation] | DOI: 10.1098/RSTB.1989.0059
PubMed: 2573083 | protein design [curation] | 1989-08-01 |
| Angular preferences of intermolecular forces around halogen centers: preferred directions of approach of electrophiles and nucleophiles around carbon-halogen bond | [1]N. Ramasubbu, [2]R. Parthasarathy, [3]Peter Murray-Rust [Full author list] | Journal of the American Chemical Society [curation] | DOI: 10.1021/JA00275A012
| catalysis [curation] | 1986-07-01 |
| Directional hydrogen bonding to sp2- and sp3-hybridized oxygen atoms and its relevance to ligand-macromolecule interactions | [1]Peter Murray-Rust, [2]Jenny P. Glusker [Full author list] | Journal of the American Chemical Society [curation] | DOI: 10.1021/JA00316A034
| catalysis [curation]; macromolecule [curation] | 1984-02-01 |
| The geometry of the thioester group and its implications for the chemistry of acyl coenzyme A | [1]D E Zacharias, [2]Peter Murray-Rust, [3]R M Preston, [4]J P Glusker [Full author list] | Archives of Biochemistry and Biophysics [curation] | DOI: 10.1016/0003-9861(83)90498-8
PubMed: 6838221 | | 1983-04-01 |
| Computer retrieval and analysis of molecular geometry. 4. Intermolecular interactions | [1]Peter Murray-Rust, [2]W. D. Sam Motherwell [Full author list] | Journal of the American Chemical Society [curation] | DOI: 10.1021/JA00509A056
| | 1979-07-01 |
| Geometrical substituent parameters for benzene derivatives: inductive and resonance effects | [1]Aldo Domenicano, [2]Peter Murray-Rust [Full author list] | Tetrahedron Letters [curation] | DOI: 10.1016/S0040-4039(01)93699-8
| benzene [curation]; organic chemistry [curation]; drug discovery [curation] | 1979-01-01 |
| Vetispirane sesquiterpene glucosides from flue-cured virginia tobacco: structure, absolute stereochemistry, and synthesis. X-Ray structure of the p-bromobenzenesulphonate of one of the derived aglycones | [1]Robert C. Anderson, [2]Donald M. Gunn, [3]Judith Murray-Rust, [4]Peter Murray-Rust, [5]James S. Roberts [Full author list] | Journal of the Chemical Society. Chemical communications [curation] | DOI: 10.1039/C39770000027
| | 1977-01-01 |
| The crystal structure of [Co(NH3)6]4[Cu5Cl17] | [1]Peter Murray-Rust, [2]P. Day, [3]C. K. Prout [Full author list] | Chemical communications / Chemical Society, London [curation] | DOI: 10.1039/C19660000277
| crystal structure [curation] | 1966-01-01 |
| A structural investigation of some compounds showing charge-transfer properties | [0]Peter Murray-Rust [Full author list] | | | | |