@inproceedings{
bachler2004-collaborative,
   Author = {Bachler, M. and Buckingham Shum, S. and Chen-Burger, J. and Dalton, J. and De Roure, D. and Eisenstadt, M. and Komzak, J. and Michaelides, D. and Page, K. and Potter, S. and Shadbolt, N. and Tate, A.},
   Title = {Collaborative Tools in the Semantic Grid},
   BookTitle = {GGF11 - The Eleventh Global Grid Forum},
   Editor = {Moreau, Luc},
   Address= {Honolulu, Hawaii, USA},
   Publisher = {Global Grid Forum},
   Year = {2004},
   Url ={http://eprints.ecs.soton.ac.uk/9439/ } }



@inproceedings{
bachler2004-chain,
   Author = {Bachler, M. and Buckingham-Shum, S. and Chen-Burger, J. and Dalton, J. and Roure, D. De and Eisenstadt, M. and Frey, J. and Komzak, J. and Michaelides, D. and Page, K. and Potter, S. and Shadbolt, N. and Tate, A.},
   Title = {Chain ReAKTing: Collaborative Advanced Knowledge Technologies in the CombeChem Grid},
   BookTitle = {UK e-Science All Hands Meeting},
   Address= {Nottingham, UK},
   Year = {2004},
   Url ={http://eprints.soton.ac.uk/15883/ } }



@inproceedings{
bachler2004-1,
   Author = {Bachler, Michelle and Shum, Simon Buckingham and Chen-Burger, Yun-Heh and Dalton, Jeff and De Roure, David and Eisenstadt, Marc and Frey, Jeremy and Komzak, Jiri and Michaelides, Danius and Page, Kevin and Potter, Stephen and Shadbolt, Nigel and Tate, Austin},
   Title = {Collaboration in the Semantic Grid: a Basis for e-Learning},
   BookTitle = {Grid Learning Services (GLS'2004) at the 7th International Conference on Intelligent Tutoring Systems Workshop (ITS'2004)},
   Address= {Maceio, Brazil},
   Pages = {1-12},
   Year = {2004},
   Url ={http://eprints.ecs.soton.ac.uk/11164/ } }



@inproceedings{
buckinghamshum2002-coakting,
   Author = {Buckingham Shum, S. and De Roure, D. and Eisenstadt, M. and Shadbolt, N. and Tate, A.},
   Title = {CoAKTinG: Collaborative Advanced Knowledge Technologies in the Grid},
   BookTitle = {Second Workshop on Advanced Collaborative Environments},
   Address= {Edinburgh, UK},
   Year = {2002},
   Url ={http://eprints.ecs.soton.ac.uk/archive/00006791/ } }



@article{
christensen2003-286,
   Author = {Christensen, Stefan W.},
   Title = {Ensemble Construction via Designed Output Distortion},
   Journal = {Lecture Notes in Computer Science},
   Volume = {2709},
   Pages = {286-295},
   Note = {Proc. 4th Int. Workshop Multiple Classifier Systems, Guildford, Surrey, UK, June 11-13 2003},
   Abstract = {A new technique for generating regression ensembles is introduced in the present paper. The technique is based on earlier work on promoting model diversity through injection of noise into the outputs; it differs from the earlier methods in its rigorous requirement that the mean displacements applied to any data points output value be exactly zero. It is illustrated how even the introduction of extremely large displacements may lead to prediction accuracy superior to that achieved by bagging. It is demonstrated how ensembles of models with very high bias may have much better prediction accuracy than single models of the same bias-defying the conventional belief that ensembling high bias models is not purposeful. Finally is outlined how the technique may be applied to classification.},
   Year = {2003},
   Url ={http://www.springerlink.com/index/6BLFYULTXDLW7G49.pdf } }



@article{
christensen2004-39,
   Author = {Christensen, Stefan W. and Sinclair, Ian and Reed, Philippa A. S.},
   Title = {Designing committees of models through deliberate weighting of data points},
   Journal = {Journal of Machine Learning Research},
   Volume = {4},
   Number = {1},
   Pages = {39-66},
   Year = {2004},
   Url ={http://portal.acm.org/citation.cfm?id=945368 } }



@article{
coles2006-science,
   Author = {Coles, S. J. and Frey, J. G. and Hursthouse, M. B. and Light, M. E. and Milsted, A. J. and Carr, L. A. and De Roure, D. and Gutteridge, C. J. and Mills, H. R. and Meacham, K. E. and Surridge, M. and Lyon, E. and Heery, R. and Duke, M. and Day, M.},
   Title = {An E-Science Environment for Service Crystallographys from Submission to Dissemination},
   Journal = {Journal of Chemical Information and Modeling},
   Year = {2006},
   Url ={http://eprints.soton.ac.uk/26845/ and http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/ci050362w } }



@inproceedings{
coles2002-grid,
   Author = {Coles, S. J. and Frey, J. G. and Hursthouse, M. B. and Light, M. E. and Surridge, M. and Meacham, K. E. and Marvin, D. J. and De Roure, D. C. and Mills, H. R.},
   Title = {Grid/Web enhancements to the National Crystallographic Service: experiences with an interactive e-Science demonstrator},
   BookTitle = {Euroweb 2002 - the Web and the GRID: from e-Science to e-Business},
   Editor = {Hopgood, F. R. A. and Matthews, B. and Wilson, M. D.},
   Series= {ElectronicWorkshops in Computing},
   Address= {Oxford, UK},
   Publisher = {British Computer Society},
   Year = {2002},
   Url ={http://eprints.soton.ac.uk/346/ and http://www.bcs.org/server.php?show=ConWebDoc.4081 } }



@article{
deroure2003-77,
   Author = {De Roure, David},
   Title = {On Self-Organization and the Semantic Grid},
   Journal = {IEEE Intelligent Systems},
   Volume = {18},
   Number = {4},
   Pages = {77-79},
   Note = {Trends & Controversies},
   Month = {July-August 2003},
   Year = {2003},
   Url ={http://www.semanticgrid.org/docs/selforg.html } }



@inproceedings{
deroure2003-70,
   Author = {De Roure, David},
   Title = {Semantic Grid and Pervasive Computing},
   BookTitle = {GGF9 Semantic Grid Workshop},
   Editor = {Roure, David De and Goble, Carole and Fox, Geoffrey},
   Address= {Chicago, IL},
   Pages = {70-76},
   Year = {2003},
   Url ={http://www.semanticgrid.org/GGF/ggf9/gpc/ } }



@incollection{
deroure2003-65,
   Author = {De Roure, D. and Baker, M. A. and Jennings, N. R. and Shadbolt, N. R.},
   Title = {The evolution of the Grid},
   BookTitle = {Grid computing - making the global infrastructure a reality},
   Editor = {Berman, F. and Fox, G. and Hey, A. J. G.},
   Publisher = {John Wiley and Sons Ltd},
   Pages = {65-100},
   Year = {2003},
   Url ={http://eprints.ecs.soton.ac.uk/6871/ } }



@article{
deroure2004-science,
   Author = {De Roure, David and Gil, Yolanda and Hendler, Jim},
   Title = {E-Science Special Issue},
   Journal = {IEEE Intelligent Systems},
   Volume = {19},
   Number = {1},
   Year = {2004},
   Url ={http://csdl2.computer.org/comp/mags/ex/2004/01/x1024.pdf } }



@incollection{
deroure2005-building,
   Author = {De Roure, David and Goble, Carole},
   Title = {Building the Semantic Grid},
   BookTitle = {Engineering the Grid: status and perspective},
   Editor = {Dongarra, J. and Zima, H. and Hoisie, A. and Yang, L. and Martino, B. Di},
   Publisher = {American Scientific Publishers},
   Year = {2005},
   Url ={http://www.aspbs.com/grid.html } }



@article{
deroure2004-65,
   Author = {De Roure, D. and Hendler, J. A.},
   Title = {E-Science: the Grid and the Semantic Web},
   Journal = {IEEE Intelligent Systems},
   Volume = {19},
   Number = {1},
   Pages = {65-71},
   Year = {2004},
   Url ={http://eprints.ecs.soton.ac.uk/9977 and http://csdl.computer.org/comp/mags/ex/2004/01/x1065abs.htm } }



@techreport{
deroure2001-research,
   Author = {De Roure, D. and Jennings, N. R. and Shadbolt, N. R.},
   Title = {Research Agenda for the Semantic Grid - A Future e-Science Infrastructure},
   Institution = {National e-Science Centre},
   Number = {UKeS-2002-02},
   Month= {December},
   Year = {2001},
   Url ={http://eprints.ecs.soton.ac.uk/archive/00006350/ } }



@incollection{
deroure2003-437,
   Author = {De Roure, D. and Jennings, N. R. and Shadbolt, N. R.},
   Title = {The Semantic Grid - A future e-Science infrastructure},
   BookTitle = {Grid Computing - Making the Global Infrastructure a Reality},
   Editor = {Berman, F. and Fox, G. and Hey, A. J. G.},
   Publisher = {John Wiley and Sons Ltd.},
   Pages = {437-470},
   Year = {2003},
   Url ={http://eprints.ecs.soton.ac.uk/6869/ } }



@article{
deroure2005-669,
   Author = {De Roure, D. and Jennings, N. R. and Shadbolt, N. R.},
   Title = {The Semantic Grid: Past, Present, and Future},
   Journal = {Proceedings of the IEEE},
   Volume = {93},
   Number = {3},
   Pages = {669-681},
   Year = {2005},
   Url ={http://eprints.ecs.soton.ac.uk/9976/ } }



@inproceedings{
dialani2002-889,
   Author = {Dialani, V. and Miles, S. and Moreau, L. and Roure, D. De and Luck, M.},
   Title = {Transparent, fault tolerance for web services based architectures, Lecture Notes in Computer Science,Springer-Verlag, 2002},
   BookTitle = {Euro-Par 2002. 8th International Euro-Par Conference},
   Editor = {Monien, B. and Feldman, R.},
   Address= {Paderborn, Germany},
   Publisher = {Springer-Verlag GmbH},
   Volume = {2400},
   Pages = {889-898},
   Year = {2002},
   Url ={http://eprints.ecs.soton.ac.uk/7317/ and http://citeseer.ist.psu.edu/dialani02transparent.html } }



@article{
fey2006-912,
   Author = {Fey, N. and Harris, S. E. and Harvey, J. N. and Orpen, A. G.},
   Title = {Adding Value to Crystallographically-Derived Ligand Knowledge Bases},
   Journal = {J. Chem. Inf. Model.},
   Volume = {46},
   Pages = {912-929},
   Year = {2006},
   Url ={http://pubs.acs.org/cgi-bin/abstract.cgi/jcisd8/2006/46/i02/abs/ci0504768.html } }



@article{
fey2005-291,
   Author = {Fey, Natalie and Tsipis, Athanassios C. and Harris, Stephanie E. and Harvey, Jeremy N. and Orpen, A. Guy and Manson, Ralph A.},
   Title = {Development of a Ligand Knowldege Base, Part 1: Computational Descriptors for Phosphorus Donor Ligands},
   Journal = {Chemistry - A European Journal},
   Volume = {12},
   Number = {1},
   Pages = {291 - 302},
   Year = {2005},
   Url ={http://www3.interscience.wiley.com/cgi-bin/fulltext/112140401/HTMLSTART } }



@incollection{
frey2003-395,
   Author = {Frey, Jeremy G.},
   Title = {Comb-e-Chem - an e-science research project},
   BookTitle = {EuroQSAR 2002 Designing Drugs and Crop Protectants: processes, problems and solutions},
   Editor = {Ford, Martyn and Livingstone, David and Dearden, John and Van der Waterbeemd, Han},
   Publisher = {Blackwell},
   Address = {Oxford, UK},
   Pages = {395-398},
   Year = {2003},
   Url ={http://eprints.soton.ac.uk/802/ } }



@article{
frey2004-1024,
   Author = {Frey, J. G.},
   Title = {Dark Lab or Smart Lab: The Challenges for 21st Century Laboratory Software},
   Journal = {Org. Proc. Res. Dev.},
   Volume = {8},
   Number = {6},
   Pages = {1024-1035},
   Year = {2004},
   Url ={http://eprints.soton.ac.uk/20201/ and http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/op049895g } }



@incollection{
frey2003-945,
   Author = {Frey, J. G. and Bradley, M. and Essex, J. W. and Hursthouse, M. B. and Lewis, S. M. and Luck, M. M. and Moreau, L. and De Roure, D. C. and Surridge, M. and Welsh, A. H.},
   Title = {Combinatorial chemistry and the Grid},
   BookTitle = {Grid computing: making the global infrastructure a reality},
   Editor = {Berman, Fran and Hey, Anthony J. G. and Fox, Geoffrey C.},
   Series = {Wiley Series in Communications Networking and Distributed Systems},
   Publisher = {John Wiley & Sons Ltd.},
   Address = {Chichester, UK},
   Pages = {945-962},
   Year = {2003},
   Url ={http://eprints.soton.ac.uk/325/ } }



@inproceedings{
frey2002-publication,
   Author = {Frey, J. G. and De Roure, D. and Carr, L. A.},
   Title = {Publication At Source: Scientific Communication from a Publication Web to a Data Grid},
   BookTitle = {Euroweb 2002 Conference, The Web and the GRID: from e-science to e-business},
   Address= {Oxford, UK},
   Publisher = {BCS},
   Year = {2002},
   Url ={http://eprints.ecs.soton.ac.uk/archive/00007852/ } }



@inproceedings{
frey2003-context,
   Author = {Frey, J. G. and De Roure, D. and schraefel, m c and Mills, H. and Fu, H. and Peppe, S. and Hughes, G. and Smith, G. and Payne, T. R.},
   Title = {Context Slicing the Chemical Aether},
   BookTitle = {First International Workshop on Hypermedia and the Semantic Web},
   Editor = {Millard, D.},
   Address= {Nottingham, UK},
   Year = {2003},
   Url ={http://eprints.ecs.soton.ac.uk/8790/ } }



@inproceedings{
frey2004-less,
   Author = {Frey, J. G. and Hughes, G. V. and Mills, H. R. and schraefel, m c and Smith, G. M. and De Roure, D.},
   Title = {Less is More: Lightweight Ontologies and User Interfaces for Smart Labs},
   BookTitle = {UK eScience All Hands Meeting},
   Address= {Nottingham, UK},
   Year = {2004},
   Url ={http://eprints.ecs.soton.ac.uk/10100/ } }



@inproceedings{
fu2004-140,
   Author = {Fu, H. and Frey, J. G.},
   Title = {Semantic description and tracking of analysis of chemical data},
   BookTitle = {Second International Workshop on the Knowledge Grid and Grid Intelligence},
   Editor = {Zhuge, H. and Cheung, W. K. and Liu, J.},
   Address= {Beijing, China},
   Pages = {140-149},
   Year = {2004},
   Url ={http://eprints.soton.ac.uk/11240/ } }



@article{
gelbrich2005-324,
   Author = {Gelbrich, T. and Hursthouse, M. B.},
   Title = {A versatile procedure for the identification, description and quantification of structural similarity in molecular crystals},
   Journal = {Cryst. Eng. Comm},
   Volume = {7},
   Pages = {324-336},
   Year = {2005},
   Url ={http://eprints.soton.ac.uk/20809/ and http://www.rsc.org/publishing/journals/CE/article.asp?doi=b502484f } }



@article{
gelbrich2004-1451,
   Author = {Gelbrich, Thomas and Threlfall, Terence L. and Huth, Susanne and Seeger, Eva and Hursthouse, Michael B.},
   Title = {Investigation of Structural Relationships between Racemic Alkali and Ammonium Hydrogen Tartrates and their Chiral Counterparts},
   Journal = {Zeitschrift für anorganische und allgemeine Chemie},
   Volume = {630},
   Number = {10},
   Pages = {1451-1458},
   Year = {2004},
   Url ={http://eprints.soton.ac.uk/20209/ and http://doi.wiley.com/10.1002/zaac.200400139 } }



@article{
gerber2004-1427,
   Author = {Gerber, Stefan and Krautscheid, Harald and Gelbrich, Thomas and Vollmer, Heike},
   Title = {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]},
   Journal = {Zeitschrift für anorganische und allgemeine Chemie},
   Volume = {630},
   Number = {10},
   Pages = {1427 - 1432},
   Note = {10.1002/zaac.200400138},
   Year = {2004},
   Url ={http://www3.interscience.wiley.com/cgi-bin/abstract/109594385/ABSTRACT } }



@article{
gledhill2006-960,
   Author = {Gledhill, R. and Kent, S. and Hudson, B. and Richards, W. G. and Essex, J. W. and Frey, J. G.},
   Title = {A Computer-Aided Drug Discovery System for Chemistry Teaching},
   Journal = {J. Chem. Inf & Mod},
   Volume = {46},
   Number = {3},
   Pages = {960-970},
   Year = {2006},
   Url ={http://eprints.soton.ac.uk/30135/ and http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/ci050383q } }



@incollection{
goble2002-semantic,
   Author = {Goble, C. and De Roure, D.},
   Title = {The Semantic Web and Grid Computing},
   BookTitle = {Real World Semantic Web Applications},
   Editor = {Kashyap, V. and Shklar, L.},
   Series = {Frontiers in Artificial Intelligence and Applications},
   Publisher = {IOS Press},
   Volume = {92},
   Year = {2002},
   Url ={http://www.semanticgrid.org/documents/swgc/swgc-final.pdf } }



@article{
goble2002-65,
   Author = {Goble, C. A. and De Roure, D.},
   Title = {The Grid: an application of the semantic web},
   Journal = {ACM SIGMOD Record},
   Volume = {31},
   Number = {4},
   Pages = {65-70},
   Year = {2002},
   Url ={http://eprints.ecs.soton.ac.uk/9192/ } }



@inproceedings{
goble2004-1129,
   Author = {Goble, C. A. and De Roure, D.},
   Title = {The Semantic Grid: Myth Busting and Bridge Building},
   BookTitle = {16th European Conference on Artificial Intelligence (ECAI-2004)},
   Address= {Valencia, Spain},
   Pages = {1129-1135},
   Year = {2004},
   Url ={http://www.semanticgrid.org/docs/ECAISemanticGrid/ECAISemanticGridFinal.pdf } }



@incollection{
goble2004-431,
   Author = {Goble, C. A. and De Roure, D. and Shadbolt, N. R. and Fernandes, A. A. A.},
   Title = {Enhancing Services and Applications with Knowledge and Semantics},
   BookTitle = {The Grid: Blueprint for a New Computing Infrastructure (2nd. ed)},
   Editor = {Foster, I. and Kesselman, C.},
   Publisher = {Morgan-Kaufmann},
   Pages = {431-458},
   Year = {2004},
   Url ={http://www.elsevier.com/wps/find/bookdescription.cws_home/699905/description } }



@techreport{
euexpertgroup2003-next,
   Author = {Group, E. U. Expert},
   Title = {Next Generation Grid(s) 2005 — 2010},
   Institution = {European Commission},
   Month= {June},
   Year = {2003},
   Url ={ftp://ftp.cordis.lu/pub/ist/docs/ngg_eg_final.pdf } }



@inproceedings{
heery2004-135,
   Author = {Heery, Rachel and Duke, Monica and Day, Michael and Lyon, Liz and Coles, Simon and Frey, Jeremy and Hursthouse, Michael and Carr, Leslie and Gutteridge, Christopher},
   Title = {Integrating research data into the publication workflow: eBank experience},
   BookTitle = {PV-2004: Ensuring the Long-Term Preservation and Adding Value to the Scientific and Technical Data},
   Address= {Frascati, Italy},
   Pages = {135-142},
   Year = {2004},
   Url ={http://eprints.soton.ac.uk/9705/ } }



@article{
hughes2004-1,
   Author = {Hughes, Gareth and Mills, Hugo and Roure, David De and Frey, Jeremy G. and Moreau, Luc and schraefel, mc and Smith, Graham and Zaluska, Ed},
   Title = {The Semantic Smart Laboratory: A system for supporting the chemical eScientist},
   Journal = {Org. Biomol. Chem.},
   Volume = {2},
   Pages = {1-10},
   Note = {DOI: 10.1039/b410075a},
   Year = {2004},
   Url ={http://eprints.ecs.soton.ac.uk/10099/ } }



@article{
hursthouse2004-85,
   Author = {Hursthouse, Mike},
   Title = {High-throughput chemical crystallography (HTCC): meeting and greeting the combichem challenge},
   Journal = {Crystallography Reviews},
   Volume = {10},
   Pages = {85-96},
   Year = {2004},
   Url ={http://www.ingentaconnect.com/content/tandf/gcrr/2004/00000010/00000001/art00001 } }



@article{
luck2004-203,
   Author = {Luck, M. and McBurney, P. and Preist, C.},
   Title = {A Manifesto for Agent Technology: Towards Next Generation Computing},
   Journal = {Journal of Autonomous Agents and Multi-Agent Systems},
   Volume = {9},
   Number = {3},
   Pages = {203-252},
   Year = {2004},
   Url ={http://eprints.ecs.soton.ac.uk/10225/ } }



@inproceedings{
lyon2004-61,
   Author = {Lyon, L. and Coles, S. and Carr, L. and Heery, R. and Hursthouse, M. and Gutteridge, C. and Duke, M. and Frey, J. and De Roure, D.},
   Title = {eBank UK Linking Research Data, Scholarly Communications and Learning},
   BookTitle = {GGF11 Workshop on Semantic Grid Applications},
   Editor = {Michaelides, Danius and Moreau, Luc},
   Address= {Hawaii, USA},
   Publisher = {GGF},
   Pages = {61-70},
   Year = {2004},
   Url ={http://eprints.soton.ac.uk/12461/ } }



@inproceedings{
lyon2004-ebank,
   Author = {Lyon, L. and Heery, R. and Duke, M. and Coles, S. and Frey, J. and Hursthouse, M. and Carr, L. and Gutteridge, C.},
   Title = {eBank UK: linking research data, scholarly communication and learning},
   BookTitle = {UK e-Science All Hands Meeting},
   Address= {Nottingham, UK},
   Year = {2004},
   Url ={http://eprints.soton.ac.uk/8183/ and http://www.allhands.org.uk/proceedings/papers/237.pdf } }



@article{
mansson2005-1791,
   Author = {Mansson, R. A. and Frey, J. G. and Essex, J. W. and Welsh, A. H.},
   Title = {Prediction of properties from simulations: A re-examination with modern statistical methods},
   Journal = {Journal of Chemical Information and Modelling},
   Volume = {45},
   Number = {6},
   Pages = {1791 - 1803},
   Year = {2005},
   Url ={http://eprints.soton.ac.uk/15866/ and http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/ci050056i } }



@article{
mansson?-statistical-bad2,
   Author = {Mansson, R. A. and Welsh, A. H. and Fey, Natalie and Orpen, A. G.},
   Title = {"Statistical Modelling of a Ligand Knowledge Base"},
   Journal = {J. Chem. Inf. Model.},
   Volume = {submitted},
   Year = {},



@inproceedings{
moreau2002-220,
   Author = {Moreau, Luc},
   Title = {Agents for the Grid: A Comparison with Web Services (Part 1: the transport layer)},
   BookTitle = {Second IEEE/ACM International Symposium on Cluster Computing and the Grid (CCGRID 2002)},
   Editor = {Bal, Henri E. and Lohr, Klaus-Peter and Reinefeld, Alexander},
   Address= {Berlin, Germany},
   Publisher = {IEEE Computer Society},
   Pages = {220-228},
   Year = {2002},
   Url ={http://eprints.ecs.soton.ac.uk/archive/00007586/ and http://citeseer.ist.psu.edu/moreau2002agents.html } }



@inproceedings{
moreau2002-52,
   Author = {Moreau, L. and Avila-Rosas, A. and Dialani, V. and Miles, S. and Liu, X.},
   Title = {Agents for the Grid: A Comparison with Web Services (part II: Service Discovery)},
   BookTitle = {Workshop on Challenges in Open Agent Systems},
   Address= {Bologna, Italy},
   Pages = {52-56},
   Year = {2002},
   Url ={http://eprints.ecs.soton.ac.uk/archive/00007598/ and http://citeseer.ist.psu.edu/538865.html } }



@article{
rousay2005-grid,
   Author = {Rousay, Esther R. and Fu, Hongchen and Robinson, Jamie M. and Essex, Jonathan W. and Frey, Jeremy G.},
   Title = {Grid-based dynamic electronic publication: A case study using combined experiment and simulation studies of crown ethers at the air/water interface},
   Journal = {Phil. Trans, Royal Soc.},
   Year = {2005},
   Url ={http://eprints.soton.ac.uk/20900/ and http://dx.doi.org/10.1098/rsta.2005.1630 } }



@inproceedings{
schraefel2004-49,
   Author = {schraefel, m c and Hughes, G. and Mills, H. and Smith, G. and Frey, J.},
   Title = {Making Tea: Iterative Design through Analogy. In Proceedings of Designing Interactive Systems},
   BookTitle = {2004 conference on Designing interactive systems: processes, practices, methods, and techniques},
   Address= {Cambridge Mass, USA},
   Publisher = {ACM Press},
   Pages = {49-58},
   Year = {2004},
   Url ={http://eprints.ecs.soton.ac.uk/8672/ } }



@inproceedings{
schraefel2004-25,
   Author = {schraefel, m c and Hughes, G. and Mills, H. and Smith, G. and Payne, T. and Frey, J.},
   Title = {Breaking the Book: Translating the Chemistry Lab Book into a Pervasive Computing Lab Environment},
   BookTitle = {Conference on Human Factors in Computing Systems (CHI)},
   Address= {Vienna, Austria},
   Publisher = {ACM Press},
   Pages = {25-32},
   Year = {2004},
   Url ={http://eprints.ecs.soton.ac.uk/archive/00008780/ } }



@inproceedings{
smith2004-53,
   Author = {Smith, G. M. and schraefel, m c},
   Title = {The Radial Scroll Tool: Scrolling Support for Stylus- or Touch-Based Document Interaction},
   BookTitle = {17th annual ACM symposium on User interface software and technology (UIST)},
   Address= {Santa Fe, New Mexico, USA},
   Pages = {53-56},
   Year = {2004},
   Url ={http://eprints.ecs.soton.ac.uk/9247/ } }



@inproceedings{
szomszor2003-603,
   Author = {Szomszor, Martin and Moreau, Luc},
   Title = {Recording and reasoning over data provenance in web and grid services},
   BookTitle = {International Conference on Ontologies, Databases and Applications of SEmantics (ODBASE'03)},
   Series= {Lecture Notes in Computer Science},
   Volume = {2888},
   Pages = {603-620},
   Year = {2003},
   Url ={http://eprints.ecs.soton.ac.uk/9450/ } }



@inproceedings{
taylor2005-148,
   Author = {Taylor, K. Gledhill R. Essex J. W. and Frey, J. G. and Harris, S. W. and De Roure, D.},
   Title = {A Semantic Datagrid for Combinatorial Chemistry},
   BookTitle = {The 6th IEEE/ACM International Workshop},
   Address= {Seattle},
   Pages = {148 - 155},
   Year = {2005},
   Url ={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 } }



@article{
taylor2006-939,
   Author = {Taylor, K. R. and Gledhill, R. J. and Essex, J. R. and Frey, J. G. and Harris, S. W. and De Roure, D. C.},
   Title = {Bringing Chemical Data onto the Semantic Web},
   Journal = {J. Chem. Inf & Mod},
   Volume = {46},
   Number = {3},
   Pages = {939-952},
   Year = {2006},
   Url ={http://eprints.soton.ac.uk/32799/ and http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/ci050378m } }



@article{
tsipis2005-2849,
   Author = {Tsipis, A. C. and Orpen, A. G. and Harvey, J. N.},
   Title = {Substituent effects and the mechanism of alkene metathesis catalyzed by ruthenium dichloride catalysts},
   Journal = {Dalton Trans},
   Pages = {2849 - 2858},
   Year = {2005},
   Url ={http://www.rsc.org/publishing/journals/DT/article.asp?doi=b506929g } }



@inproceedings{
vivek2003-359,
   Author = {Vivek, Sanjay and Tso, Kenneth and De Roure, David},
   Title = {Mobile Link Services with MQSeries Everyplace},
   BookTitle = {First IEEE International Conference on Pervasive Computing and Communications (PerCom'03)},
   Address= {Fort Worth, Texas},
   Pages = {359},
   Abstract = {The Open Hypermedia model is based upon the separation of hypertext links from documents and treats them as separate entities. Distributed link services take this approach and implement an open hypermedia system above the infrastructure of the World Wide Web. This paper explores the suitability and applicability of extending the architecture of distributed link services by adding messaging backbone based on secure asynchronous message passing, which provides support for mobile users of distributed hypermedia information systems.},
   Year = {2003},
   Url ={http://eprints.ecs.soton.ac.uk/7240/ } }



@inproceedings{
ward2003-208,
   Author = {Ward, S. C. and Hursthouse, M. B. and Woods, D. C. and Lewis, S. M.},
   Title = {Systematic study into the salt formation of functionalised organic substrates},
   BookTitle = {UK e-Science All Hands Meeting},
   Editor = {Cox, S. J.},
   Address= {Nottingham, UK},
   Pages = {208-211},
   Year = {2003},
   Url ={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) } }



@article{
waterhouse2006-design,
   Author = {Waterhouse, T. H. and Woods, D. C. and Eccleston, J. A. and Lewis, S. M.},
   Title = {Design selection criteria for discrimination/estimation for nested models and a binomial response},
   Journal = {Journal of Statistical Planning and Inference},
   Volume = {in press},
   Year = {2006},



@article{
welsh2005-45,
   Author = {Welsh, A. H. and Mansson, R. A. and Frey, J. G. and Danos, L.},
   Title = {Statistical Analysis of Second Harmonic Generation Experiments: A Phenomenological Model},
   Journal = {Chemometrics and Intelligent Laboratory Systems},
   Volume = {75},
   Pages = {45-54},
   Year = {2005},
   Url ={http://eprints.soton.ac.uk/20930/ and http://dx.doi.org/10.1016/j.chemolab.2004.05.002 } }



@inproceedings{
woods2004-application,
   Author = {Woods, C. J. and Frey, J. G. and J.W.Essex},
   Title = {The Application of Distributed Computing to the Investigation of Protein Conformational Change},
   BookTitle = {UK e-Science All Hands Meeting},
   Address= {Nottingham, UK},
   Year = {2004},
   Url ={http://eprints.soton.ac.uk/15881/ } }



@article{
woods2005-designing,
   Author = {Woods, D. C.},
   Title = {Designing experiments under random contamination with application to polynomial spline regression},
   Journal = {Statistica Sinica},
   Volume = {15},
   Year = {2005},
   Url ={http://eprints.soton.ac.uk/15837/ and http://www3.stat.sinica.edu.tw/statistica/J15N3/J15N32/J15N32.html } }



@inproceedings{
woods2006-elearning,
   Author = {Woods, D. C. and Grove, D. M. and Liccardi, I. and Lewis, S. M. and Frey, J. G.},
   Title = {An eLearning website for the design and analysis of experiments with application to chemical processes},
   BookTitle = {Compstat 2006},
   Publisher = {in press},
   Year = {2006},



@inproceedings{
woods2005-designing,
   Author = {Woods, D. C. and Lewis, S. M.},
   Title = {Designing experiments for binary data using search algorithms},
   BookTitle = {55th Session of the International Statistical Institute},
   Address= {Sydney, Australia},
   Year = {2005},
   Url ={http://eprints.soton.ac.uk/15854/ } }



@article{
woods2005-designs,
   Author = {Woods, D. C. and Lewis, S. M. and Eccleston, J. A. and Russell, K. G.},
   Title = {Designs for generalized linear models with several variables and model uncertainty},
   Journal = {Technometrics},
   Year = {2005},
   Url ={http://eprints.soton.ac.uk/15828 } }