[31]      Goodacre, R. (2005) Biomarker discovery using metabolomics and explanatory machine learningJournal of Medical Genetics 42, S16.

[30]      Vaidyanathan, S., Kell, D.B. & Goodacre, R. (2005) Electrospray-ionization mass spectrometry of protein mixtures: Influence of instrumental settings and proteomic implications.  Abstracts of Papers of the American Chemical Society 229, U185, 045-Biot.

[29]      Vaidyanathan, S., Jones, D., Jenkins, T., Kell, D.B. & Goodacre, R. (2005) Metabolomic investigations using laser desorption ionisation mass spectrometry on porous silicon.  Abstracts of Papers of the American Chemical Society 229, U245, 414-Biot.

[28]      Grube, M., Clarke, S., Jarvis, R.M., Ellis, D.I., Goodacre, R., Matjuskova, N. and Muiznieks, I. (2003) Studies of mushrooms Lentinula edodes by infrared spectroscopy. The Inaugral Austral-Asian Biospectroscopy Conference (ABC), 3-7 February, 2003.

[27]      Grube, M., Goodacre, R., Matjuskova, N., Muiznieks, I., Clarke, S., Jarvis, R.M. and Ellis, D.I. (2003) Nutritional studies of some Lentinula edodes strains by infrared and Raman spectroscopy. 11th European Congress on Biotechnology, 24-29 August, 2003.

[26]      Grube, M., Goodacre, R., Jarvis, R.M., Matjuskova, N., Muiznieks, I., Clarke, S. and Ellis, D.I. (2003) Studies of carbohydrate content in Lentinula edodes mycelium by infrared and Raman spectroscopy. XIV Congress of European Mycologists, 22-27 September, 2003.

[25]      Vaidyanathan, S. & Goodacre, R. (2003) Metabolite and protein profiling of whole cells using soft-ionization mass spectrometry for rapid microbial characterization. Abstracts of Papers of the American Chemical Society 225, U199, 105-Biot.

[24]      Vaidyanathan, S., Kell, D.B. & Goodacre, R. (2002) Rapid, high-throughput microbial characterization by metabolite and protein profiling of whole cells using soft-ionization mass spectrometry. Abstracts of Papers of the American Chemical Society 224, U199, 011-Biot.

[23]      Goodacre, R., McGovern, A.C., Timmins, É.M., Winson, M.K., Kaderbhai, N., Broadhurst, D., Taylor, J., Gilbert, R.J., Rowland, J.J. & Kell, D.B. (1999) Intelligent systems for the characterisation and quantification of microbial systems using advanced analytical techniques. In Environmental Monitoring and Remediation Technologies II. Eds. Vo-Dinh, T. & Spellicy, R.L.  SPIE 3853, 174-184.

[22]      Goodacre, R., Gilbert, R.J., Taylor, J., Rowland, J.J. & Kell, D.B. (1999) Intelligent evolutionary systems for the deconvolution of pyrolysis-MS data.  In (Berg, D.A., ed.) Proc. 1998 ERDEC Scientific Conference on Chemical and Biological Defense Research. ECBC-SP-0004, Aberdeen Proving Ground, pp 139-145.

[21]      Goodacre, R., Timmins, É.M., McGovern, A.C., Kaderbhai, N., Rooney, P.J. & Kell, D.B. (1999) The rapid characterisation of microbial pathogens using hyperspectral, whole organism fingerprinting and chemometrics.  In (Berg, D.A., ed.) Proc. 1998 ERDEC Scientific Conference on Chemical and Biological Defense Research. ECBC-SP-0004, Aberdeen Proving Ground, pp 51-58.

[20]      Bol, R., Wadge, K., Atkinson, L.D., Parsons, A.J., Griffith, G.W. & Goodacre, R. (1998) The long term impact of elevated CO2 with N availability on the carbon content in different aggregate sizes in grasslands.  Climate Change - Impacts on Agriculture, Society of Chemical Industry Conference, London, 24 February 1998.

[19]      Bol, R., Wadge, K., Atkinson, L.D., Parsons, A.J., Griffith, G.W. & Goodacre, R. (1997) Long-term impacts of elevated CO2 interacting with N availability on the sequestering of carbon in grassland soil. British Grassland Society Fifth Research Conference, Seale Hayne Faculty of Agriculture Food & Land Use, University of Plymouth, Newton Abbot, Devon, 8-10 September 1997, 149-150.

[18]      Gilbert, R.J., Johnson, H.E., Winson, M.K., Rowland, J.J., Goodacre, R., Smith, A.R., Hall, M.A. & Kell, D.B. (1999) Genetic programming as an analytical tool for metabolome data.  In EuroGP '99 Late-Breaking Papers: Technical Report SEN-R9913 (Eds. Langdon, W.B., Poli, R., Nodin, P. & Fogarty, T.) pp. 23-33.  Software Engineering, CWI, Amsterdam.

[17]      Goodacre, R., Shann, B., Gilbert, R.J., Timmins, É.M., McGovern, A.C., Alsberg, B.K., Logan, N.A. & Kell, D.B. (1998) The characterisation of Bacillus species from PyMS and FT‑IR data.  In (Berg, D.A., ed.) Proc. 1997 ERDEC Scientific Conference on Chemical and Biological Defense Research. ERDEC-SP-063, Aberdeen Proving Ground, pp 257-265.

[16]      Taylor, J., Rowland, J.J., Goodacre, R., Gilbert, R.J., Winson, M.K. & Kell, D.B. (1998) Genetic programming in the interpretation of Fourier transform infrared spectra: quantification of metabolites of pharmaceutical importance. In (Koza, J.R., Banzhaf, W., Chellapilla, K., Deb, K., Dorigo, M., Fogel, D.B., Garzon, M.H., Goldberg, D.E., Iba, H. & Riolo, R.L., eds.) Genetic Programming 1998: Proceedings of the 3rd Annual Conference, Madison, WI.  San Francisco, CA: Morgan Kaufmann. pp 377-380.

[15]      Gilbert, R.J., Goodacre, R., Shann, B., Taylor, J., Rowland, J.J. & Kell, D.B. (1998) Genetic programing-based variable selection for high-dimensional data. In (Koza, J.R., Banzhaf, W., Chellapilla, K., Deb, K., Dorigo, M., Fogel, D.B., Garzon, M.H., Goldberg, D.E., Iba, H. & Riolo, R.L., eds.) Genetic Programming 1998: Proceedings of the 3rd Annual Conference, Madison, WI.  San Francisco, CA: Morgan Kaufmann. pp 109-115.

[14]      Goodacre, R., Rooney, P.J. & Kell, D.B. (1998) Rapid analysis of microbial systems using vibrational spectroscopy and supervised learning methods: application to the discrimination between methicillin-resistant and methicillin-susceptible Staphylococcus aureus. In Infrared Spectroscopy: New Tool in Medicine. Eds. Mantsch, H.H., Jackson, M. & Katzir, A.  SPIE 3257, Ch 36, pp. 220-229.

[13]      Kell, D.B., Winson, M.K., Goodacre, R., Woodward, A.M., Timmins, É.M., Alsberg, B.K., Davey, H.M. and Rowland, J.J. (1997) Diffuse Reflectance Absorbance Spectroscopy Taking In Chemometrics (DRASTIC). A novel hyperspectral, FT-IR based approach to rapid screening for metabolite overproduction and for biodetection. In (Berg, D.A., ed.) Proc. 1996 ERDEC Scientific Conference on Chemical and Biological Defense Research. ERDEC-SP-048, Aberdeen Proving Ground, pp 149-158.

[12]      Kell, D.B., Goodacre, R. & Neal, M.J. (1996) Rapid analysis of multiple determinands using pyrolysis mass spectrometry and supervised learning with artificial neural networks.  In (Berg, D.A., ed.) Proc. 1995 ERDEC Scientific Conference on Chemical and Biological Defense Research. ERDEC-SP-043, Aberdeen Proving Ground, pp 183-189.

[11]      Kell, D.B., Goodacre, R. & Neal, M.J. (1996) Rapid analysis of multiple determinands using pyrolysis mass spectrometry and supervised learning with artificial neural networks.  In (Berg, D.A., ed.) Proc. 1994 ERDEC Scientific Conference on Chemical and Biological Defense Research. ERDEC-SP-036, Aberdeen Proving Ground, pp 53-59.

[10]      Bianchi, G., Giansante, L., Goodacre, R., Kell, D.B., Lazzari, M., Salter, G.J. & Surricchio, G. (1996) Determination of geographical origin of extra virgin olive oil using pyrolysis mass spectrometry and artificial neural networks.  Proceedings of Food Authenticity 96, 1-3 September, 1996. 2 pp.

[9]        Salter, G.J., Goodacre, R., Kell, D.B., Lazzari, M. & Bianchi, G. (1996) Assessment of food authenticity using pyrolysis mass spectrometry and artificial neural networks; application to olive oils.  Proceedings of Food Authenticity 96, 1-3 September, 1996. 6 pp.

[8]        Goodacre, R. & Kell, D.B. (1996) Use of pyrolysis mass spectrometry with supervised learning for the assessment of the adulteration of milk from different species, and the determination of milk fat content.  Proceedings of Food Authenticity 96, 1-3 September, 1996. 8 pp.

[7]        Goodacre, R. & Kell, D.B. (1996) Neural network analyses of pyrolysis mass spectral data: applications to the assessment of food adulteration, monitoring fermentor broths, and the correction of mass spectral drift.  Proceedings of MolMass 96 - 2nd International Conference on Molecular Mass Characterization of Synthetic and Natural Polymers, 1-4 April, 1996. 7 pp.

[6]        Neal, M.J., Goodacre, R. & Kell, D.B (1994) Rapid and quantitative analysis of complex biological mixtures using pyrolysis mass spectrometry and artificial neural networks: individual input scaling leads to rapid learning.  Proceedings of the 1994 Drug Discovery Conference, London, UK, 8 pp.

[5]        Neal, M.J., Goodacre, R. & Kell, D.B (1994) On the analysis of pyrolysis mass spectra using artificial neural networks.  Individual input scaling leads to rapid learning.  Proceedings of the World Congress on Neural Networks 1994, San Diego, California, I‑318 - I‑323.

[4]        Coutinho, H.L.C., Crane, H.E., Manifo, G.P., Goodacre, R., Neves, M.C.P. & Beringer, J.E. (1992) The use of RAPD (randomly amplified polymorphic DNA) and PyMS (pyrolysis mass spectrometry) in studies of the ecology of Bradyrhizobium japonicum.  Proceedings of the 2nd BNFNET Annual Computer Conference on the Ecology of Nitrogen Fixing Bacteria, 16-29 November, 1992. 4 pp.

[3]        Berkeley, R.C.W., Goodacre, R., Helyer, R.J. & Kelley, T. (1992) Pyrolysis-MS in taxonomic studies of non-pathogenic microorganisms.  Proceedings of the Society of General Microbiology 121st Meeting, in Bristol, UK 7-9 January 1992. p63.

[2]        Berkeley, R.C.W., Goodacre, R., Helyer, R.J. & Kelley, T. (1991) The rapid and accurate identification and discrimination of microorganisms by pyrolysis mass spectrometry.  Proceedings of the Pyrolysis Mass Spectrometry and Biosensors Meeting, in Troia, Setubal, Portugal 16-20 September, 1991. p23.

[1]        Berkeley, R.C.W., Goodacre, R. & Kelley, T. (1989) Rapid and accurate characterisation of bacteria using pyrolysis mass spectrometry.  Proceedings of an International Workshop on a Forward Look into the Detection and Characterisation of Chemical and Biological Species, in Salamanca, Spain, 1-5 April, 1989.  pp. 15-18.

Last updated 25 July 2006