CombeChem

CombeChem Publications

The CombeChem publication database is available in the following formats: BiBTeX, RTF, PS, PDF and Endnote.


Alphabetical by First Author

1. Bachler, M., Shum, S. B., Chen-Burger, Y.-H., Dalton, J., De Roure, D., Eisenstadt, M., Frey, J., Komzak, J., Michaelides, D., Page, K., Potter, S., Shadbolt, N. and Tate, A., Collaboration in the Semantic Grid: a Basis for e-Learning. in Grid Learning Services (GLS'2004) at the 7th International Conference on Intelligent Tutoring Systems Workshop (ITS'2004), (Maceio, Brazil, 2004). http://eprints.ecs.soton.ac.uk/11164/

2. Bachler, M., Buckingham-Shum, S., Chen-Burger, J., Dalton, J., Roure, D. D., Eisenstadt, M., Frey, J., Komzak, J., Michaelides, D., Page, K., Potter, S., Shadbolt, N. and Tate, A., Chain ReAKTing: Collaborative Advanced Knowledge Technologies in the CombeChem Grid. in UK e-Science All Hands Meeting, (Nottingham, UK, 2004). http://eprints.soton.ac.uk/15883/

3. Bachler, M., Buckingham Shum, S., Chen-Burger, J., Dalton, J., De Roure, D., Eisenstadt, M., Komzak, J., Michaelides, D., Page, K., Potter, S., Shadbolt, N. and Tate, A., Collaborative Tools in the Semantic Grid. in GGF11 - The Eleventh Global Grid Forum, (Honolulu, Hawaii, USA, 2004). http://eprints.ecs.soton.ac.uk/9439/

4. Bandara, A., Payne, T., De Roure, D. and Lewis, T., A Semantic Approach for Description and Ranked Matching of Services in Pervasive Environments. 2007. http://eprints.ecs.soton.ac.uk/14691/

5. Bandara, A., Payne, T., De Roure, D., Gibbins, N. and Lewis, T., A Pragmatic Approach for the Semantic Description and Matching of Pervasive Resources. 2008. http://eprints.ecs.soton.ac.uk/15318/

6. Bandara, A., Payne, T., De Roure, D., Gibbins, N. and Lewis, T., A pragmatic approach for the semantic description and matching of pervasive resources. International Journal of Pervasive Computing and Communication, 6, (1). 19-46. 2010. http://eprints.ecs.soton.ac.uk/18379/

7. Barillari, C., Taylor, J., Viner, R. and Essex, J. W., Classification of water molecules in protein binding sites. Journal of the American Chemical Society, 129, (9). 2577-2587. 2007. http://eprints.soton.ac.uk/54239/

8. Bently, L., Cook, N., Frey, J., Derclaye, E., Donkin, R., Egan, G., Holderness, M., Hudson, L. J., Kelani, R., Korn, N., Mateer, M., Neylon, C., Roberts, D. and Smith, V., Driving UK Research. Is copyright a help or a hindrance. 2010. http://www.bl.uk/ip/pdf/drivingukresearch.pdf

9. Bicarregui, J., Boulderstone, R., Estelle, L., Frey, J., Jacobs, N., Kilbride, W., Matthews, B. and McGreevy, R., 20/20 Vision: an e-Infrastructure for the next decade. Report of the Data and Information Creation Working Group to the e-Infrastructure Steering Group. 2006. http://eprints.soton.ac.uk/42078/

10. Biedermann, S. and Woods, D. C., Optimal designs for generalised nonlinear models with application to second harmonic generation experiments. 2009. http://eprints.soton.ac.uk/69457/

11. Blower, J., Santokhee, A., Frey, J. and Milsted, A., BlogMyData: A Virtual Research Environment for collobaroative visualization of environmental data. 2010.

12. Borda, A., Careless, J., Dimitrova, M., Fraser, M., Frey, J., Hubbard, P., Goldstein, S., Pung, C., Shoebridge, M. and Wiseman, N., Report of the Working Group on Virtual Research Communities for the OST e-Infrastructure Steering Group. 2006. http://eprints.soton.ac.uk/42074/

13. Borkum, M., Coles, S. and Frey, J., Integration of oreChem with e-Crystals Repository for Crystal Structures. 2010.

14. Borkum, M., Coles, S., Lagoze, C. and Frey, J., Using oreChemexperiments ontology: Planning and enacting chemistry. in ACS RDF Symposium, (Boston, MA, US, 2010). http://egonw.github.com/acsrdf2010/

15. Borkum, M., Coles, S., Frey, J. and Lagoze, C., A Semantic eScience Platform for Chemistry. in 2010 (accepted)).

16. Borkum, M., Lagoze, C., Coles, S. and Frey, J., oreChem: Planning and Enacting Chemsitry on the Semantic Web. in Microsoft e-Science, (Berkeley, 2010 (accepted)).

17. Buckingham Shum, S., De Roure, D., Eisenstadt, M., Shadbolt, N. and Tate, A., CoAKTinG: Collaborative Advanced Knowledge Technologies in the Grid. in Second Workshop on Advanced Collaborative Environments, (Edinburgh, UK, 2002). http://eprints.ecs.soton.ac.uk/archive/00006791/

18. Christensen, S. W., Ensemble Construction via Designed Output Distortion. Lecture Notes in Computer Science, 2709, 286-295. 2003. http://www.springerlink.com/index/6BLFYULTXDLW7G49.pdf

19. Christensen, S. W., Sinclair, I. and Reed, P. A. S., Designing committees of models through deliberate weighting of data points. Journal of Machine Learning Research, 4, (1). 39-66. 2004. http://portal.acm.org/citation.cfm?id=945368

20. Coles, S. J., Frey, J. G., Hursthouse, M. B., Light, M. E., Milsted, A. J., Carr, L. A., De Roure, D., Gutteridge, C. J., Mills, H. R., Meacham, K. E., Surridge, M., Lyon, E., Heery, R., Duke, M. and Day, M., An E-Science Environment for Service Crystallographys from Submission to Dissemination. . Journal of Chemical Information and Modeling, 2006. http://eprints.soton.ac.uk/26845/ and http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/ci050362w

21. Coles, S. J., Frey, J. G., Hursthouse, M. B., Light, M. E., Milsted, A. J., Carr, L. A., De Roure, D., Gutteridge, C. J., Mills, H. R., Meacham, K. E., Surridge, M., Lyon, E., Heery, R., Duke, M. and Day, M., An e-science environment for service crystallographysfrom submission to dissemination. Journal of Chemical Information and Modeling, 46, (3). 1006-1016. 2006. http://eprints.soton.ac.uk/26845/

22. Coles, S. J., Hursthouse, M. B., Frey, J. G., Milsted, A. J., Carr, L. A., Koch, T., Lyon, E. and Duke, M., eCrystals: A Route for Open Access to Small Molecule Crystal Structure Data. 2006. http://eprints.soton.ac.uk/41257/

23. Coles, S., Frey, J. and Milsted, A., Curation of chemistry from laboratory to publication: “The curation of laboratory experimental data as part of the overall data lifecycle”. 2006. http://eprints.soton.ac.uk/41794/

24. Coles, S. J., A repository based framework for capture, management, curation and dissemination of research data. 2007. http://eprints.soton.ac.uk/49395/

25. Coles, S. J., The Repository for the Laboratory (R4L) Project. DLib Magazine, 13, 3-4. 2007. http://www.dlib.org/dlib/march07/03inbrief.html#COLES

26. Coles, S. and Lyon, L., The eCrystals Federation. 2008. http://eprints.soton.ac.uk/50902/

27. Coles, S., Carr, L. and Frey, J., Experiences with repositories and blogs in laboratories. 2008. http://eprints.soton.ac.uk/50901/

28. Coles, S. J., Frey, J. G., Hursthouse, M. B., Light, M. E., Surridge, M., Meacham, K. E., Marvin, D. J., De Roure, D. C. and Mills, H. R., Grid/Web enhancements to the National Crystallographic Service: experiences with an interactive e-Science demonstrator. in Euroweb 2002 - the Web and the GRID: from e-Science to e-Business, (Oxford, UK, 2002). http://eprints.soton.ac.uk/346/ and http://www.bcs.org/server.php?show=ConWebDoc.4081

29. de Oliveira Branco, M., Zaluska, E. and De Roure, D., Managing very-large distributed datasets. Lecture Notes in Computer Science, 5331, 775-792. 2008. http://eprints.ecs.soton.ac.uk/17323/

30. De Roure, D., Jennings, N. R. and Shadbolt, N. R., Research Agenda for the Semantic Grid - A Future e-Science Infrastructure. National e-Science Centre, Edinburgh, UK, 2001. http://eprints.ecs.soton.ac.uk/archive/00006350/

31. De Roure, D., On Self-Organization and the Semantic Grid. 2003. http://www.semanticgrid.org/docs/selforg.html

32. De Roure, D. and Hendler, J. A., E-Science: the Grid and the Semantic Web. IEEE Intelligent Systems, 19, (1). 65-71. 2004. http://eprints.ecs.soton.ac.uk/9977 and http://csdl.computer.org/comp/mags/ex/2004/01/x1065abs.htm

33. De Roure, D., Gil, Y. and Hendler, J., E-Science Special Issue. IEEE Intelligent Systems, 19, (1). 2004. http://csdl2.computer.org/comp/mags/ex/2004/01/x1024.pdf

34. De Roure, D., Jennings, N. R. and Shadbolt, N. R., The Semantic Grid: Past, Present, and Future. Proceedings of the IEEE, 93, (3). 669-681. 2005. http://eprints.ecs.soton.ac.uk/9976/

35. De Roure, D. and Frey, J., Three Perspectives on Collaborative Knowledge Acquisition in e-Science. 2007. http://eprints.ecs.soton.ac.uk/13997/

36. De Roure, D., e-Science and the Web. IEEE Computer, 2009. http://eprints.ecs.soton.ac.uk/17765/

37. De Roure, D. and Goble, C., Anchors in Shifting Sand: the Primacy of Method in the Web of Data. 2010. http://eprints.ecs.soton.ac.uk/20817/

38. De Roure, D., Jennings, N. R. and Shadbolt, N. R., The Semantic Grid - A future e-Science infrastructure. Berman, F., Fox, G. and Hey, A. J. G. John Wiley and Sons Ltd., 2003, 437-470. http://eprints.ecs.soton.ac.uk/6869/

39. De Roure, D., Baker, M. A., Jennings, N. R. and Shadbolt, N. R., The evolution of the Grid. Berman, F., Fox, G. and Hey, A. J. G. John Wiley and Sons Ltd, 2003, 65-100. http://eprints.ecs.soton.ac.uk/6871/

40. De Roure, D. and Goble, C., Re-evaluating the Grid: the social life of programs. 2008. http://eprints.ecs.soton.ac.uk/15663/

41. De Roure, D. and Goble, C., Building the Semantic Grid. Dongarra, J., Zima, H., Hoisie, A., Yang, L. and Martino, B. D. American Scientific Publishers, 2005, http://www.aspbs.com/grid.html

42. De Roure, D., Semantic Grid and Pervasive Computing. in GGF9 Semantic Grid Workshop, (Chicago, IL, 2003). http://www.semanticgrid.org/GGF/ggf9/gpc/

43. Dialani, V., Miles, S., Moreau, L., Roure, D. D. and Luck, M., Transparent, fault tolerance for web services based architectures, Lecture Notes in Computer Science,Springer-Verlag, 2002. in Euro-Par 2002. 8th International Euro-Par Conference, (Paderborn, Germany, 2002). http://eprints.ecs.soton.ac.uk/7317/ and http://citeseer.ist.psu.edu/dialani02transparent.html

44. Duke, M., Day, M., Heery, R., Carr, L. A. and Coles, S. J., Enhancing access to research data: the challenge of crystallography. 2005.

45. EU Expert Group, Next Generation Grid(s) 2005 — 2010. European Commission, Brussels, 2003. ftp://ftp.cordis.lu/pub/ist/docs/ngg_eg_final.pdf

46. Fey, N., Tsipis, A. C., Harris, S. E., Harvey, J. N., Orpen, A. G. and Manson, R. A., Development of a Ligand Knowldege Base, Part 1: Computational Descriptors for Phosphorus Donor Ligands. Chemistry - A European Journal, 12, (1). 291 - 302. 2005. http://www3.interscience.wiley.com/cgi-bin/fulltext/112140401/HTMLSTART

47. Fey, N., Harris, S. E., Harvey, J. N. and Orpen, A. G., Adding Value to Crystallographically-Derived Ligand Knowledge Bases

J. Chem. Inf. Model., 46, 912-929. 2006. http://pubs.acs.org/cgi-bin/abstract.cgi/jcisd8/2006/46/i02/abs/ci0504768.html

48. Frey, J. G., De Roure, D. and Carr, L. A., Publication At Source: Scientific Communication from a Publication Web to a Data Grid. in Euroweb 2002 Conference, The Web and the GRID: from e-science to e-business, (Oxford, UK, 2002). http://eprints.ecs.soton.ac.uk/archive/00007852/

49. Frey, J. G., Hughes, G. V., Mills, H. R., schraefel, m. c., Smith, G. M. and De Roure, D., Less is More: Lightweight Ontologies and User Interfaces for Smart Labs. in UK eScience All Hands Meeting, (Nottingham, UK, 2004). http://eprints.ecs.soton.ac.uk/10100/

50. Frey, J. G., Dark Lab or Smart Lab: The Challenges for 21st Century Laboratory Software. Org. Proc. Res. Dev., 8, (6). 1024-1035. 2004. http://eprints.soton.ac.uk/20201/ and http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/op049895g

51. Frey, J. G., The curation of laboratory experimental data as part of the overall data lifecycle. 2006. http://eprints.soton.ac.uk/44281/

52. Frey, J. G., Gledhill, R. J., Milsted, A., Kent, S., Essex, J. W. and Richards, G. W., A computer-aided drug discovery system for chemistry teaching. 2006. http://eprints.soton.ac.uk/41499/

53. Frey, J. G., CombeChem: semantic support for the chemical information life cycle. 2006. http://eprints.soton.ac.uk/41498/

54. Frey, J. G., Future Lab - "Smart not Dark". 2006. http://eprints.soton.ac.uk/20362/

55. Frey, J. G., Science as a collaborative process - the Scholarly Knowledge Cycle and Blogging the Laboratory (Smartlab 2.5?). 2007. http://eprints.soton.ac.uk/41795/

56. Frey, J., Curation of laboratory experimental data as part of the overall data lifecycle. International Journal of Digital Curation, 3, (1). 2008. http://eprints.soton.ac.uk/64612/

57. Frey, J. G., Blogs, logs and pods. 2008. http://eprints.soton.ac.uk/52013/

58. Frey, J. G., The value of the semantic web in the laboratory. Drug Discovery Today, 14, (11-12). 522-561. 2009. http://eprints.soton.ac.uk/145173/

59. Frey, J. G., Bradley, M., Essex, J. W., Hursthouse, M. B., Lewis, S. M., Luck, M. M., Moreau, L., De Roure, D. C., Surridge, M. and Welsh, A. H., Combinatorial chemistry and the Grid. Berman, F., Hey, A. J. G. and Fox, G. C. Wiley Series in Communications Networking and Distributed Systems, John Wiley & Sons Ltd., 2003, 945-962. http://eprints.soton.ac.uk/325/

60. Frey, J. G., Comb-e-Chem - an e-science research project. Ford, M., Livingstone, D., Dearden, J. and Van der Waterbeemd, H. Blackwell, 2003, 395-398. http://eprints.soton.ac.uk/802/

61. Frey, J. G., De Roure, D., schraefel, m. c., Mills, H., Fu, H., Peppe, S., Hughes, G., Smith, G. and Payne, T. R., Context Slicing the Chemical Aether. in First International Workshop on Hypermedia and the Semantic Web, (Nottingham, UK, 2003). http://eprints.ecs.soton.ac.uk/8790/

62. Frey, J., De Roure, D., Taylor, K., Essex, J., Mills, H. and Zaluska, E., CombeChem: a case study in provenance and annotation using the Semantic Web. Moreau, L. and Foster, I. Springer, 2006, 270-277. http://eprints.soton.ac.uk/42344/

63. Frey, J. G., e-Malaria. Voss, A., Vander Meer, E. and Ferguson, D. Conexions Web site, 2009, http://cnx.org/content/col10677/1.12/

64. Fu, H. and Frey, J. G., Semantic description and tracking of analysis of chemical data. in Second International Workshop on the Knowledge Grid and Grid Intelligence, (Beijing, China, 2004). http://eprints.soton.ac.uk/11240/

65. Gelbrich, T., Threlfall, T. L., Huth, S., Seeger, E. and Hursthouse, M. B., Investigation of Structural Relationships between Racemic Alkali and Ammonium Hydrogen Tartrates and their Chiral Counterparts. Zeitschrift für anorganische und allgemeine Chemie, 630, (10). 1451-1458. 2004. http://eprints.soton.ac.uk/20209/ and http://doi.wiley.com/10.1002/zaac.200400139

66. Gelbrich, T. and Hursthouse, M. B., A versatile procedure for the identification, description and quantification of structural similarity in molecular crystals. Cryst. Eng. Comm, 7, 324-336. 2005. http://eprints.soton.ac.uk/20809/ and http://www.rsc.org/publishing/journals/CE/article.asp?doi=b502484f

67. Geldhill, R., Kent, S., Milsted, A., Chapman, R., Essex, J. W. and Frey, J. G., e-Malaria: the schools Malaria project. Concurrency and Computation: Practice & Experience, 20, (3). 225-238. 2008. http://eprints.soton.ac.uk/54457/

68. Gerber, S., Krautscheid, H., Gelbrich, T. and Vollmer, H., Synthesis and Crystal Structures of Heterometallic AgI/FeII Coordination Polymers: (Me3PhN)2[Ag2Fe(SCN)6], (Me3PhN)6[Ag6Fe3(ECN)18] (E = S, Se) und (Me3PhN)4[Ag2Fe(SCN)8]. Zeitschrift für anorganische und allgemeine Chemie, 630, (10). 1427 - 1432. 2004. http://www3.interscience.wiley.com/cgi-bin/abstract/109594385/ABSTRACT

69. Gledhill, R., Kent, S., Hudson, B., Richards, W. G., Essex, J. W. and Frey, J. G., A Computer-Aided Drug Discovery System for Chemistry Teaching. J. Chem. Inf & Mod, 46, (3). 960-970. 2006. http://eprints.soton.ac.uk/30135/ and http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/ci050383q

70. Gledhill, R., Kent, S., Hudson, B., Richards, W. G., Essex, J. W. and Frey, J. G., A computer-aided drug discovery system for chemistry teaching. Journal of Chemical Information and Modeling, 46, (3). 960-970. 2006. http://eprints.soton.ac.uk/44452/

71. Goble, C. A. and De Roure, D., The Grid: an application of the semantic web. ACM SIGMOD Record, 31, (4). 65-70. 2002. http://eprints.ecs.soton.ac.uk/9192/

72. Goble, C. and De Roure, D., The Semantic Grid: Myth Busting and Bridge Building. in 16th European Conference on Artificial Intelligence (ECAI-2004), (Valencia, Spain, 2004). http://www.semanticgrid.org/docs/ECAISemanticGrid/ECAISemanticGridFinal.pdf

73. Goble, C., Corcho, O., Alper, P. and De Roure, D., e-science and the semantic web: A symbiotic relationship. 2006. http://eprints.ecs.soton.ac.uk/13624/

74. Goble, C. A., De Roure, D., Shadbolt, N. R. and Fernandes, A. A. A., Enhancing Services and Applications with Knowledge and Semantics. Foster, I. and Kesselman, C. Morgan-Kaufmann, 2004, 431-458. http://www.elsevier.com/wps/find/bookdescription.cws_home/699905/description

75. Goble, C. and De Roure, D., The Semantic Web and Grid Computing. Kashyap, V. and Shklar, L. Frontiers in Artificial Intelligence and Applications, IOS Press, 2002, http://www.semanticgrid.org/documents/swgc/swgc-final.pdf

76. Greenhalgh, C., Glover, K., Humble, J., Robinson, J., Wilson, S., Frey, J., Page, K. and De Roure, D., Combining System Introspection with User-Provided Description to Support Configuration and Understanding of Pervasive systems. 2008. http://eprints.ecs.soton.ac.uk/16594/

77. Guan, T., Zaluska, E. and Roure, D., Extending Pervasive Devices with the Semantic Grid: A Service Infrastructure Approach. 2006. http://eprints.ecs.soton.ac.uk/14487/

78. Guan, T., Zaluska, E. and Roure, D., An Autonomic Service Discovery Mechanism to Support Pervasive Device Accessing Semantic Grid. 2007. http://eprints.ecs.soton.ac.uk/14488/

79. Guan, T., Zaluska, E. and De Roure, D., An Autonomic Service Discovery Mechanism to Support Pervasive Device Accessing Semantic Grid. International Journal of Autonomic Computing, 2008. http://eprints.ecs.soton.ac.uk/16853/

80. Hall, W., De Roure, D. and Shadbolt, N., The evolution of the Web and implications for eResearch. Philosophical transactions. Series A, Mathematical, physical, and engineering sciences, 367, (1890). 991-1001. 2009. http://eprints.ecs.soton.ac.uk/17132/

81. Heery, R., Duke, M., Day, M., Lyon, L., Coles, S., Frey, J., Hursthouse, M., Carr, L. and Gutteridge, C., Integrating research data into the publication workflow: eBank experience. in PV-2004: Ensuring the Long-Term Preservation and Adding Value to the Scientific and Technical Data, (Frascati, Italy, 2004). http://eprints.soton.ac.uk/9705/

82. Hughes, G., Mills, H., Roure, D. D., Frey, J. G., Moreau, L., schraefel, m., Smith, G. and Zaluska, E., The Semantic Smart Laboratory: A system for supporting the chemical eScientist. Org. Biomol. Chem., 2, 1-10. 2004. http://eprints.ecs.soton.ac.uk/10099/

83. Hursthouse, M., High-throughput chemical crystallography (HTCC): meeting and greeting the combichem challenge. Crystallography Reviews, 10, 85-96. 2004. http://www.ingentaconnect.com/content/tandf/gcrr/2004/00000010/00000001/art00001

84. Luck, M., McBurney, P. and Preist, C., A Manifesto for Agent Technology: Towards Next Generation Computing. Journal of Autonomous Agents and Multi-Agent Systems, 9, (3). 203-252. 2004. http://eprints.ecs.soton.ac.uk/10225/

85. Lyon, L., Heery, R., Duke, M., Coles, S., Frey, J., Hursthouse, M., Carr, L. and Gutteridge, C., eBank UK: linking research data, scholarly communication and learning in UK e-Science All Hands Meeting, (Nottingham, UK, 2004). http://eprints.soton.ac.uk/8183/ and http://www.allhands.org.uk/proceedings/papers/237.pdf

86. Lyon, L., Coles, S., Carr, L., Heery, R., Hursthouse, M., Gutteridge, C., Duke, M., Frey, J. and De Roure, D., eBank UK Linking Research Data, Scholarly Communications and Learning. in GGF11 Workshop on Semantic Grid Applications, (Hawaii, USA, 2004). http://eprints.soton.ac.uk/12461/

87. Mansson, R. A., Welsh, A. H., Fey, N. and Orpen, A. G., "Statistical Modelling of a Ligand Knowledge Base". J. Chem. Inf. Model., submitted,

88. Mansson, R., Frey, J., Essex, J. and Welsh, A., Prediction of properties from simulations: A re-examination with modern statistical methods. Journal of Chemical Information and Modelling, 45, (6). 1791 - 1803. 2005. http://eprints.soton.ac.uk/15866/ and http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/ci050056i

89. Matthews, B., Duncan, A., Jones, C., Neylon, C., Borkum, M., Coles, S. and Hunter, P., A Protocol for Exchanging Scientific Citations. e-Science and Grid Computing, International Conference on, 0, 171-177. 2009. http://doi.ieeecomputersociety.org/10.1109/e-Science.2009.32

90. Milsted, A., Frey, J., Michaelides, D. and De Roure, D., "MyExperimentalScience, extending the 'workflow'"

in Microsoft e-Science, (Berkeley, 2010 (accepted)).

91. Milsted, A., Santokhee, A., Frey, J. and Blower, J., BlogMyData: A Virtual Research Environment for collobaorative visualization of environmental data. in Microsoft e-Science, (Berkeley, 2010 (accepted)).

92. Moreau, L., Avila-Rosas, A., Dialani, V., Miles, S. and Liu, X., Agents for the Grid: A Comparison with Web Services (part II: Service Discovery). in Workshop on Challenges in Open Agent Systems, (Bologna, Italy, 2002). http://eprints.ecs.soton.ac.uk/archive/00007598/ and http://citeseer.ist.psu.edu/538865.html

93. Moreau, L., Agents for the Grid: A Comparison with Web Services (Part 1: the transport layer). in Second IEEE/ACM International Symposium on Cluster Computing and the Grid (CCGRID 2002), (Berlin, Germany, 2002). http://eprints.ecs.soton.ac.uk/archive/00007586/ and http://citeseer.ist.psu.edu/moreau2002agents.html

94. Newman, D., Bechhofer, S. and De Roure, D., myExperiment: An ontology for e-Research. 2009. http://eprints.ecs.soton.ac.uk/17787/

95. Patel, M., Coles, S., Giaretta, D., Rankin, S. and McIlwrath, B., The Role of OAIS Representation Information in the Digital Curation of Crystallography Data. e-Science and Grid Computing, International Conference on, 0, 132-139. 2009. http://doi.ieeecomputersociety.org/10.1109/e-Science.2009.27

96. Pickering, A., Gutteridge, C. and De Roure, D., A networked registration scheme to support open science. 2009. http://eprints.ecs.soton.ac.uk/17680/

97. Robinson, J. M., Frey, J. G., De Roure, D. C., Stanford-Clark, A. J., Reynolds, A. D., Bedi, B. V. and Conway-Jones, D., The Combechem MQTT LEGO microscope: a grid enabled scientific apparatus demonstrator. National eScience Center, 2006, 393-396. http://eprints.soton.ac.uk/45432/

98. Rousay, E. R., Fu, H., Robinson, J. M., Essex, J. W. and Frey, J. G., Grid-based dynamic electronic publication: A case study using combined experiment and simulation studies of crown ethers at the air/water interface. Phil. Trans, Royal Soc., 2005. http://eprints.soton.ac.uk/20900/ and http://dx.doi.org/10.1098/rsta.2005.1630

99. Russell, K. G., Eccleston, J. A., Lewis, S. M. and Woods, D. C., Design considerations for small experiments and simple logistic regression. Journal of Statistical Computation and Simulation, 79, (1). 81 - 91. 2009. http://www.informaworld.com/10.1080/00949650701609006

100. Russell, K. G., Woods, D. C., Lewis, S. M., Eccleston, J. A., Hall, W., De Roure, D. and Shadbolt, N., D-optimal designs for Poisson regression models

The evolution of the Web and implications for eResearch. Statistica Sinica, 19, (2). 721-730. 2009. http://eprints.soton.ac.uk/151269/

http://eprints.ecs.soton.ac.uk/17132/

101. schraefel, m. c., Hughes, G., Mills, H., Smith, G., Payne, T. and Frey, J., Breaking the Book: Translating the Chemistry Lab Book into a Pervasive Computing Lab Environment. in Conference on Human Factors in Computing Systems (CHI), (Vienna, Austria, 2004). http://eprints.ecs.soton.ac.uk/archive/00008780/

102. schraefel, m. c., Hughes, G., Mills, H., Smith, G. and Frey, J., Making Tea: Iterative Design through Analogy. In Proceedings of Designing Interactive Systems. in 2004 conference on Designing interactive systems: processes, practices, methods, and techniques, (Cambridge Mass, USA, 2004). http://eprints.ecs.soton.ac.uk/8672/

103. Smith, G. M. and schraefel, m. c., The Radial Scroll Tool: Scrolling Support for Stylus- or Touch-Based Document Interaction. in 17th annual ACM symposium on User interface software and technology (UIST), (Santa Fe, New Mexico, USA, 2004). http://eprints.ecs.soton.ac.uk/9247/

104. Stephen, W., Frey, J. G. and Coles, S. J., Second Life: The next virtual laboratory? 2009. http://eprints.soton.ac.uk/148087/

105. Szomszor, M. and Moreau, L., Recording and reasoning over data provenance in web and grid services. in International Conference on Ontologies, Databases and Applications of SEmantics (ODBASE'03), 2003). http://eprints.ecs.soton.ac.uk/9450/

106. Taylor, K. G., R. Essex, J.W.; Frey, J.G.; Harris, S.W.; De Roure, D.;, A Semantic Datagrid for Combinatorial Chemistry. in The 6th IEEE/ACM International Workshop (Seattle, 2005). http://eprints.ecs.soton.ac.uk/11778/ and http://ieeexplore.ieee.org/search/wrapper.jsp?arnumber=1542736 and http://dx.doi.org/doi:10.1109/GRID.2005.1542736

107. Taylor, K. R., Gledhill, R. J., Essex, J. R., Frey, J. G., Harris, S. W. and De Roure, D. C., Bringing Chemical Data onto the Semantic Web. J. Chem. Inf & Mod, 46, (3). 939-952. 2006. http://eprints.soton.ac.uk/32799/ and http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/ci050378m

108. Taylor, K. R., Essex, J. W., Frey, J. G., Mills, H. R., Hughes, G. and Zaluska, E. J., The semantic grid and chemistry: experiences with CombeChem. Web Semantics: Science, Services and Agents on the World Wide Web, 4, (2). 84-101. 2006. http://eprints.soton.ac.uk/54225/

109. Taylor, K. R., Gledhill, R., Essex, J. W., Frey, J. G., Harris, S. W. and De Roure, D. C., Bringing chemical data onto the semantic web. Journal of Chemical Information and Modeling, 46, (3). 939-952. 2006. http://eprints.soton.ac.uk/32799/

110. Taylor, K. R., Semantic Units for Scientific Data Exchange. 2006.

111. Taylor, K. R., Blogging Meets Computational Chemistry. 2009.

112. Tizzard, G. J., Coles, S. J. and Frey, J. G., Engaging Chemists: Making A Useable Lab Blog Book. 2009.

113. Tsipis, A. C., Orpen, A. G. and Harvey, J. N., Substituent effects and the mechanism of alkene metathesis catalyzed by ruthenium dichloride catalysts. Dalton Trans, 2849 - 2858. 2005. http://www.rsc.org/publishing/journals/DT/article.asp?doi=b506929g

114. Vivek, S., Tso, K. and De Roure, D., Mobile Link Services with MQSeries Everyplace. in First IEEE International Conference on Pervasive Computing and Communications (PerCom'03) (Fort Worth, Texas, 2003). http://eprints.ecs.soton.ac.uk/7240/

115. Ward, S. C., Hursthouse, M. B., Woods, D. C. and Lewis, S. M., Systematic study into the salt formation of functionalised organic substrates. in UK e-Science All Hands Meeting, (Nottingham, UK, 2003). http://eprints.soton.ac.uk/15855/ and http://www.nesc.ac.uk/events/ahm2003/AHMCD/pdf/040.pdf and http://eprints.soton.ac.uk/15842/ (Poster)

116. Waterhouse, T. H., Woods, D. C., Eccleston, J. A. and Lewis, S. M., Design selection criteria for discrimination/estimation for nested models and a binomial response. Journal of Statistical Planning and Inference, in press, 2006.

117. Waterhouse, T. H., Woods, D. C., Eccleston, J. A. and Lewis, S. M., Design selection criteria for discrimination/estimation for nested models and a binomial response. Journal of Statistical Planning and Inference, 138, (1). 132-144. 2008. http://eprints.soton.ac.uk/54673/

118. Welsh, A. H., Mansson, R. A., Frey, J. G. and Danos, L., Statistical Analysis of Second Harmonic Generation Experiments: A Phenomenological Model Chemometrics and Intelligent Laboratory Systems, 75, 45-54. 2005. http://eprints.soton.ac.uk/20930/ and http://dx.doi.org/10.1016/j.chemolab.2004.05.002

119. Wilson, S. and Frey, J. G., Critical zone observatories and sensor repositories. 2009. http://eprints.soton.ac.uk/148085/

120. Wilson, S., Milsted, A. J. and Frey, J. G., Comment by sketch: a picture says a million words. 2009. http://eprints.soton.ac.uk/148069/

121. Wilson, S. and Frey, J., The smartlab: experimental and environmental control and monitoring of the chemistry laboratory. 2009. http://eprints.soton.ac.uk/148063/

122. Wilson, S. and Frey, J. G., Web tools, mashups and automated lasers. 2009. http://eprints.soton.ac.uk/148095/

123. Wilson, S. and Frey, J. G., Critical zone observatories and sensor repositories. 2009. http://eprints.soton.ac.uk/148091/

124. Wilson, S., Birch, O. and Frey, J. G., The LEGO laboratory: laser induced fluorescence. 2009. http://eprints.soton.ac.uk/148075/

125. Wilson, S. and Frey, J., The Impact of e-Science o Real Science. 2010.

126. Wilson, S. and Frey, J., Control, monitoring, analysis and dissemination of laboratory physical chemistry experiments using semantic web and broker technologies. in ACS RDF Symposium, (Boston, MA, US, 2010). http://egongw.github.com/acsrdf2010/

127. Woods, C. J., Frey, J. G. and J.W.Essex, The Application of Distributed Computing to the Investigation of Protein Conformational Change. in UK e-Science All Hands Meeting, (Nottingham, UK, 2004). http://eprints.soton.ac.uk/15881/

128. Woods, D. C., Designing experiments under random contamination with application to polynomial spline regression. Statistica Sinica, 15, 2005. http://eprints.soton.ac.uk/15837/ and http://www3.stat.sinica.edu.tw/statistica/J15N3/J15N32/J15N32.html

129. Woods, D. C., Lewis, S. M., Eccleston, J. A. and Russell, K. G., Designs for generalized linear models with several variables and model uncertainty. Technometrics, 2005. http://eprints.soton.ac.uk/15828

130. Woods, D. C. and Lewis, S. M., Designing experiments for binary data using search algorithms in 55th Session of the International Statistical Institute, (Sydney, Australia, 2005). http://eprints.soton.ac.uk/15854/

131. Woods, D. C., Grove, D. M., Liccardi, I., Lewis, S. M. and Frey, J. G., An eLearning website for the design and analysis of experiments with application to chemical processes. in Compstat 2006, 2006).

132. Woods, D. C. and van de Ven, P., Block designs for experiments with non-normal response. 2009. http://eprints.soton.ac.uk/69903/

133. Woods, D. C., Robust designs for binary data: applications of simulated annealing. Journal of Statistical Computation and Simulation, 80, (1). 29-41. 2010. http://eprints.soton.ac.uk/151261/

134. Woods, D. C. and Lewis, S. M., Continuous optimal designs for generalized linear models under model uncertainty. Journal of Statistical Theory and Practice, 2010. http://eprints.soton.ac.uk/151267/