Changing ways of sharing research in Chemistry.

  1. H. S. Rzepa, B. J. Whitaker and M. J. Winter, "Chemical Applications of the World-Wide-Web", J. Chem. Soc., Chem. Commun., 1994, 1907. DOI: 10.1039/C39940001907
  2. H. S. Rzepa and P. Murray-Rust, A Proposal of a Primary MIME Content Type of Chemical, 1994, May-November.
  3. O. Casher, G. Chandramohan, M. Hargreaves, C. Leach, P. Murray-Rust, R. Sayle, H. S. Rzepa and B. J. Whitaker, Hyperactive Molecules and the World-Wide-Web Information System, , J. Chem. Soc., Perkin Trans 2, 1995, 7. DOI: 10.1039/P29950000007
  4. D. James, B. J. Whitaker, C. Hildyard, H. S. Rzepa, O. Casher, J. M. Goodman, D. Riddick and P. Murray-Rust, The Case for Content Integrity in Electronic Chemistry Journals: The CLIC Project, , New. Rev. Information Networking, 1996, 61.
  5. C. Leach, P. Murray-Rust and H. S. Rzepa, A Molecular Hyperglossary: Organic Molecular information in Hypermedia Form, 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.
  6. H. S. Rzepa, "The Future of Electronic Journals in Chemistry", Trends in Analytical Chemistry, 1995, 14, 464.
  7. H. S. Rzepa, Chemistry and the World-Wide-Web, chapter in "The Internet: A Guide for Chemists", Ed. S. Bachrach, American Chemical Society, 1995.
  8. S. M. Bachrach, P. Murray-Rust, H. S. Rzepa, B. J. Whitaker, Publishing Chemistry on the Internet, Network Sci. [Electronic Publication] , (1996), 2(3).
  9. H. S. Rzepa, P. Murray-Rust and B. J. Whitaker, "The Internet as a Chemical Information Tool", Chem. Soc. Revs, 1997, 1-10. [6.7]
  10. H. S. Rzepa, P. Murray-Rust and B. J. Whitaker, "The Chemical MIME Project", Chem. Intl., 1997, 19, 17.
  11. H. S. Rzepa, P. Murray-Rust and B. J. Whitaker, The Application of Chemical Multipurpose Internet Mail Extensions (Chemical MIME) Internet Standards to Electronic Mail and World-Wide Web information exchange, J. Chem. Inf. Comp. Sci., 1998, 38, 976-982. [2.1]
  12. P. Murray-Rust and H. S. Rzepa, Chemical markup Language and XML Part I. Basic principles (see DOI or reprint), J. Chem. Inf. Comp. Sci., 1999, 39, 928.
  13. P. Murray-Rust, H. S. Rzepa, M. Wright and S. Zara, A Universal approach to Web-based Chemistry using XML and CML, ChemComm, 2000, 1471-1472.
  14. P. Murray-Rust, H. S. Rzepa and M. Wright, Development of Chemical Markup Language (CML) as a System for Handling Complex Chemical Content, New J. Chem., 2001, 618-634. DOI: 10.1039/b008780g
  15. G. V. Gkoutos, P. R. Kenway, P. Murray-Rust, H.S. Rzepa and M. Wright, A Resource for Transforming HTML and Molfile Documents to XML Compliant Form, Internet J. Chem., 2001, 4, Article 5.
  16. P. Murray-Rust and H. S. Rzepa, Chemical Markup, XML and the World-Wide Web. Part II: Information Objects and the CMLDOM. J. Chem. Inf. Comp. Sci., 2001, 1113. (DOI, supporting information)
  17. G. Gkoutos, P. Murray-Rust, H. S. Rzepa and M. Wright, Chemical Markup, XML and the World-Wide Web. Part III: Towards a signed semantic Chemical Web of Trust, J. Chem. Inf. Comp. Sci., 2001, 1124. (DOI),
  18. H. S. Rzepa and P. Murray-Rust, A New Publishing Paradigm: STM Articles as part of the Semantic Web, Learned Publishing, 2001, 14, 177.
  19. 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.
  20. P. Murray-Rust and H. S. Rzepa, Scientific publications in XML - towards a global knowledge base, Data Science, 2002, 1, 84-98.
  21. P. Murray-Rust and H. S. Rzepa, STMML. A Markup Language for Scientific, Technical and Medical Publishing, Data Science, 2002, 1, 1-65.
  22. P. Murray-Rust and H. S. Rzepa, "Markup Languages- How to structure chemistry related documents", Chemistry Intl., 2002, 24(4), 9-13.
  23. 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.
  24. 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.
  25. 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.
  26. 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.
  27. P. Murray-Rust and H. S. Rzepa, "Towards the Chemical Semantic Web. An introduction to RSS ", Internet J. Chem., 2003, 6, article 4.
  28. P. Murray-Rust and H. S. Rzepa, "XML for scientific publishing", OCLC Systems and Services, 2003, 19, 162-169.
  29. 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.
  30. 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.
  31. 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
  32. 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
  33. 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.
  34. 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.
  35. 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.
  36. 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
  37. 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
  38. 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
  39. 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.
  40. 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
  41. 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
  42. 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
  43. P. Murray-Rust and H. S. Rzepa, "XML, Chemical Markup Language (CML) and the Datument", ACS Style Guide, 2006, published.
  44. 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
  45. 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
  46. 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
  47. 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
  48. O. Casher and H. S Rzepa, "Using Semantically-enabled Components for Social-Web based Scientific Collaborations", in "Enhancing Learning with Online Resources, Social Networking, and Digital Libraries", Editor(s): Robert E. Belford, John W. Moore, Harry E. Pence, 2010, DOI: 10.1021/bk-2010-1060.ch003. For all the book chapters see here.
  49. H. S. Rzepa, "The past, present and future of Scientific discourse", J. Cheminform., 2011, 3, 46. DOI: 10.1186/1758-2946-3-46
  50. P. Murray-Rust and H. S. Rzepa, "CML: Evolution and Design", J. Cheminform., 2011, 3, 44. 10.1186/1758-2946-3-44
  51. H. S. Rzepa, "Changing ways of sharing research in Chemistry", in "The future of scholarly communication: all change", M. Jubb and D. Shorley (Eds), 2012, in press.
  52. H. S. Rzepa, "Chemical datuments as scientific enablers", J. Chemoinform, 2012, in press.
  53. D. C. Braddock, D. Roy, D. Lenoir, E. Moore, H. S. Rzepa, J. I-Chia Wu and P. von R. Schleyer, "Verification of Stereospecific Dyotropic Racemisation of Enantiopure d and l-1,2-Dibromo-1,2-diphenylethane in Non-polar Media", Chem. Comm., 2012, in press. DOI: 10.1039/C2CC33676F
  54. P. Murray-Rust and H. S. Rzepa, "Semantic physical science", J. Cheminform., 2012, 4 14. DOI: 10.1186/1758-2946-4-14