The past, present and future of Scientific discourse
- A Proposal of a Primary MIME Content Type of Chemical, H. S. Rzepa and P. Murray-Rust, 1994, May-November.
- Hyperactive Molecules and the World-Wide-Web Information System, O. Casher, G. Chandramohan, M. Hargreaves, C. Leach, P. Murray-Rust, R. Sayle, H. S. Rzepa and B. J. Whitaker, J. Chem. Soc., Perkin Trans 2, 1995, 7. DOI: 10.1039/P29950000007
- The Case for Content Integrity in Electronic Chemistry Journals: The CLIC Project, D. James, B. J. Whitaker, C. Hildyard, H. S. Rzepa, O. Casher, J. M. Goodman, D. Riddick and P. Murray-Rust, , New. Rev. Information Networking, 1996, 61.
- A Molecular Hyperglossary: Organic Molecular information in Hypermedia Form, C. Leach, P. Murray-Rust and H. S. Rzepa, Electronic Conference on Trends in Organic Chemistry (ECTOC-1) ISBN 0 85404 899 5, Eds. H. S. Rzepa, J. M. Goodman and C. Leach (CD-ROM), Royal Society of Chemistry publications, 1996.
- Publishing Chemistry on the Internet, S. M. Bachrach, P. Murray-Rust, H. S. Rzepa, B. J. Whitaker, Network Sci. [Electronic Publication] , (1996), 2(3).
- The Internet as a Chemical Information Tool", H. S. Rzepa, P. Murray-Rust and B. J. Whitaker, Chem. Soc. Revs, 1997, 1-10. [6.7]
- "The Chemical MIME Project", H. S. Rzepa, P. Murray-Rust and B. J. Whitaker, Chem. Intl., 1997, 19, 17.
- The Application of Chemical Multipurpose Internet Mail Extensions (Chemical MIME) Internet Standards to Electronic Mail and World-Wide Web information exchange, H. S. Rzepa, P. Murray-Rust and B. J. Whitaker, J. Chem. Inf. Comp. Sci., 1998, 38, 976-982. [2.1]
- Chemical markup Language and XML Part I. Basic principles (see DOI or reprint), P. Murray-Rust and H. S. Rzepa, J. Chem. Inf. Comp. Sci., 1999, 39, 928.
- A Universal approach to Web-based Chemistry using XML and CML, P. Murray-Rust, H. S. Rzepa, M. Wright and S. Zara, ChemComm, 2000, 1471-1472.
- Development of Chemical Markup Language (CML) as a System for Handling Complex Chemical Content, Peter Murray-Rust, H. S. Rzepa and Michael Wright, New J. Chem., 2001, 618-634. DOI: 10.1039/b008780g
- A Resource for Transforming HTML and Molfile Documents to XML Compliant Form, G. V. Gkoutos, P. R. Kenway, P. Murray-Rust, H.S. Rzepa and M. Wright, Internet J. Chem., 2001, 4, Article 5.
- Chemical Markup, XML and the World-Wide Web. Part II: Information Objects and the CMLDOM. P. Murray-Rust and H. S. Rzepa, J. Chem. Inf. Comp. Sci., 2001, 1113. (DOI, supporting information)
- Chemical Markup, XML and the World-Wide Web. Part III: Towards a signed semantic Chemical Web of Trust, G. Gkoutos, P. Murray-Rust, H. S. Rzepa and M. Wright, J. Chem. Inf. Comp. Sci., 2001, 1124. (DOI),
- A New Publishing Paradigm: STM Articles as part of the Semantic Web, H. S. Rzepa and P. Murray-Rust, Learned Publishing, 2001, 14, 177.
- G. V. Gkoutos, P. Murray-Rust, H. S. Rzepa, and M. Wright, The Application of XML Languages for Integrating Molecular Resources, Internet J. Chemistry, 2001, article 13.
- P. Murray-Rust and H. S. Rzepa, Scientific publications in XML - towards a global knowledge base, Data Science, 2002, 1, 84-98.
- P. Murray-Rust and H. S. Rzepa, STMML. A Markup Language for Scientific, Technical and Medical Publishing, Data Science, 2002, 1, 1-65.
- P. Murray-Rust and H. S. Rzepa, "Markup Languages- How to structure chemistry related documents", Chemistry Intl., 2002, 24(4), 9-13.
- P. Murray-Rust, and H. S. Rzepa "Towards the Chemical Semantic Web", Proc. 2002 International Chemical Information Conference, ed H. Collier. (Infonortics) 2002, pp 127-139.
- P. Murray-Rust and H. S. Rzepa, chapter in "Handbook of Chemoinformatics. Part 2. Advanced Topics.", ed. J. Gasteiger and T. Engel, 2003, Vol 1.
- G. V. Gkoutos, H. S. Rzepa P. Murray-Rust, "Online Validation and Comparison of Molfile and CML Molecular Atom-Connection Descriptors", Internet J. Chem.,, 2003, article 1.
- P. Murray-Rust and H. S. Rzepa, "Chemical Markup, XML and the Worldwide Web. Part 4. CML Schema", J. Chem. Inf. comp. Sci.,, 2003, 43, 757-772.
- P. Murray-Rust and H. S. Rzepa, "Towards the Chemical Semantic Web. An introduction to RSS ", Internet J. Chem., 2003, 6, article 4.
- P. Murray-Rust and H. S. Rzepa, "XML for scientific publishing", OCLC Systems and Services, 2003, 19, 162-169.
- P. Murray-Rust and H. S. Rzepa, "The Next Big Thing: From Hypermedia to Datuments", J. Digital Inf., 2004, 5, article 248, 2004-03-18.
- P. Murray-Rust and H. S. Rzepa, "The Next Big Thing: From Hypermedia to Datuments", J. Digital Inf., 2004, 5, article 248, 2004-03-18.
- P. Murray-Rust, H. S. Rzepa, M. J. Williamson and E. L. Willighagen, "Chemical Markup, XML and the Worldwide Web. Part 5. Applications of Chemical Metadata in RSS Aggregators", J. Chem. Inf. Comp. Sci.,, 2004, 44, 462-469. See also supprting information and DOI: 10.1021/ci034244p
- P. Murray-Rust, H. S. Rzepa, S. M. Tyrrell and Y. Zhang, "Representation and use of Chemistry in the Global Electronic Age", Org. Biomol. Chem., 2004, 2, 3192 to 3203. DOI: 10.1039/B410732B
- P. Murray-Rust, H. S. Rzepa and S. Stein, "The INChI as an LSID for molecules in lifescience", W3C Workshop on Semantic Web for Life Sciences, 27-28 October 2004, Cambridge, Massachusetts USA.
- P. Murray-Rust, H. S. Rzepa, "Towards a semantic web for chemistry in lifescience", W3C Workshop on Semantic Web for Life Sciences, 27-28 October 2004, Cambridge, Massachusetts USA.
- P. Murray-Rust, H. S. Rzepa and Y. Zhang, "Googling for INChIs; A remarkable method of chemical searching", W3C Workshop on Semantic Web for Life Sciences, 27-28 October 2004, Cambridge, Massachusetts USA.
- J. Wakelin, P. Murray-Rust, S. Tyrrell, Y. Zhang, H.S. Rzepa, A Garcia, "CML Tools and Information Flow in Atomic Scale Simulations", Mol. Simulations, 2005, 31, 315-322. DOI: 10.1080/08927020500065850
- P. Murray-Rust, H. S. Rzepa, J. J. P. Stewart and Y. Zhang, "A global resource for computational chemistry", J. Mol. Mod., 2005, 11, DOI: 10.1007/s00894-005-0278-1
- S. J. Coles, N. E. Day, P. Murray-Rust, H. S. Rzepa and Y. Zhang, "Enhancement of the Chemical Semantic Web through INChIfication", Org. Biomol. Chem., 2005, 3, 1832-1834. DOI: 10.1039/b502828k
- P. Murray-Rust, John B.O. Mitchell and H. S. Rzepa, "Chemistry in Bioinformatics", BMC Bioinformatics, 2005, 6:141, DOI:10.1186/1471-2105-6-141.
- P. Murray-Rust, John B.O. Mitchell and H. S. Rzepa, "Communication and re-use of chemical information in bioscience", BMC Bioinformatics, 2005, 6:180, DOI: 10.1186/1471-2105-6-180
- G. L. Holliday, P. Murray-Rust, H. S. Rzepa, "Chemical Markup, XML and the Worldwide Web. Part 6. CMLReact; An XML Vocabulary for Chemical Reactions", J. Chem. Inf. Mod., 2006, 46, 145-157. DOI: 10.1021/ci0502698
- R. Guha M. T. Howard, G. R. Hutchison, P. Murray-Rust, H. S. Rzepa, C. Steinbeck, J. Wegner and E. L. Willighagen, "The Blue Obelisk - Interoperability in Chemical Informatics", J. Chem. Inf. Mod., 2006, pp 991-998. DOI: 10.1021/ci050400b
- P. Murray-Rust and H. S. Rzepa, "XML, Chemical Markup Language (CML) and the Datument", ACS Style Guide, 2006, published.
- S. Kuhn, P. Murray-Rust, R. John Lancashire, H. S. Rzepa, T. Helmusk, E. L. Willighagen, C. Steinbeck, "Chemical Markup, XML, and the World Wide Web. 7. CMLSpect, an XML vocabulary for spectral data", 2007, J. Chem. Inf. Mod., DOI: 10.1021/ci600531a
- J. Downing, P. Murray-Rust, A. P. Tonge, P. Morgan, H. S. Rzepa, F. Cotterill, N. Day and M. J. Harvey, "SPECTRa : The Deposition and Validation of Primary Chemistry Research Data in Digital Repositories", J. Chem. Inf. Mod., 2008, 48, 1571 - 1581. DOI: 10.1021/ci7004737
- N. Adams, J. Winter, P. Murray-Rust, H. S. Rzepa, "Chemical Markup, XML and the World-Wide Web. 8. Polymer Markup Language", J. Chem. Inf. Mod., 2008, 48, 2118-2128. DOI: 10.1021/ci8002123
- J. A. Townsend, J. Downing, M. J. Harvey, P. B. Morgan, P. Murray-Rust, H. S. Rzepa, D. C. Stewart and A. P. Tonge,"SPECTRa-T: Machine-based data extraction and semantic searching of chemistry e-theses", J. Chem. Inf. Mod., 2010, 50, 251-261. DOI: 10.1021/ci9003688