A Picture of the Llandinam Building

Computational Biology - Example Publications


  • Soldatova, L., Aubrey, W., King, R. D. and Clare, A. (2008) The EXACT description of biomedical protocols. Bioinformatics 2008 24: i295-i303. Special issue for ISMB 2008.
  • Taylor, et al (including Nigel Hardy) (2008) Promoting coherent minimum reporting guidelines for biological and biomedical investigations: the MIBBI project Nature Biotechnology 26(8):889-896
  • Susanna-Assunta Sansone, Philippe Rocca-Serra, Marco Brandizi, Alvis Brazma, Dawn Field, Jennifer Fostel, Andrew G. Garrow, Jack Gilbert, Federico Goodsaid, Nigel Hardy, Phil Jones, Allyson Lister, Michael Miller, Norman Morrison, Tim Rayner, Nataliya Sklyar, Chris Taylor, Weida Tong, Guy Warner, Stefan Wiemann (2008) The First RSBI (ISA-TAB) Workshop: "Can a Simple Format Work for Complex Studies?" OMICS: A Journal of Integrative Biology 12(2):143-149 (2008). http://dx.doi.org/doi:10.1089/omi.2008.0019
  • 2007

  • Riley, M.C., Clare, A. and King, R. D. (2007) Locational distribution of gene functional classes in Arabidopsis thaliana BMC Bioinformatics 8:112
  • Andrew R Jones, Michael Miller, Ruedi Aebersold, Rolf Apweiler, Catherine A Ball, Alvis Brazma, James DeGreef, Nigel Hardy, Henning Hermjakob, Simon J Hubbard, Peter Hussey, Mark Igra, Helen Jenkins, Randall K Julian Jr, Kent Laursen, Stephen G Oliver, Norman W Paton, Susanna-Assunta Sansone, Ugis Sarkans, Christian J Stoeckert Jr, Chris F Taylor, Patricia L Whetzel, Joseph A White, Paul Spellman and Angel Pizarro (2007) The Functional Genomics Experiment model (FuGE): an extensible framework for standards in functional genomics. Nature Biotechnology 25(10):1127-1133 doi:10.1038/nbt1347
  • Fiehn O, Robertson D, Griffin J, van der Werf M, Nikolau B, Morrison N, Sumner LW, Goodacre R, Hardy NW, Taylor C, Fostel J, Kristal B, Kaddurah-Daouk R, Mendes P, van Ommen B, Lindon JC, Sansone S-A (2007) The Metabolomics Standards Initiative (MSI). Metabolomics 3 (3):175-178 doi:10.1007/s11306-007-0070-6
  • Sumner L, Amberg A, Barrett D, Beale M, Beger R, Daykin C, Fan T, Fiehn O, Goodacre R, Griffin J, Hankemeier T, Hardy N, Harnly J, Higashi R, Kopka J, Lane A, Lindon J, Marriott P, Nicholls A, Reily M, Thaden J, Viant M Proposed minimum reporting standards for chemical analysis. Metabolomics 3(3):211-221 (2007) doi:10.1007/s11306-007-0082-2
  • Denis V. Rubtsov, Helen Jenkins, Christian Ludwig, John Easton, Mark R. Viant, Ulrich Gunther, Julian L. Griffin and Nigel Hardy Proposed Reporting Requirements for the Description of NMR-Based Metabolomics Experiments Metabolomics 3(3):223-229 (2007) (doi:10.1007/s11306-006-0040-4)
  • Nigel Hardy and Helen Jenkins (2007) Reporting standards. In: Metabolomics (Topics in Current Genetics Series) Michael C. Jewett and Jens Nielsen (Eds). Springer (doi:10.1007/4735_2007_0242)
  • Nigel Hardy and Chris. F. Taylor A roadmap for the establishment of standard data exchange structures for metabolomics. Metabolomics 3(3):243-248 (2007) (doi:10.1007/s11306-007-0071-5)
  • Helen Jenkins, Manfred Beckmann, John Draper, Nigel Hardy GC-MS Peak Labeling Under ArMet. In: Concepts in Plant Metabolomics, Nikolau, Basil J., Wurtele, Eve Syrkin (Eds.) 2007. ISBN-10: 1-4020-5607-9, ISBN-13: 978-1-4020-5607-9 (Publisher's site)
  • Robert Burbidge, Jem J. Rowland, Ross D. King, Nicholas T. Form, Benjamin J. Whitaker: Evolutionary Optimization of Three-Photon Absorption in Molecular Iodine. CIDM 2007: 96-100
  • Simon M. Garrett, George Macleod Coghill, Ashwin Srinivasan, Ross D. King: Learning Qualitative Models of Physical and Biological Systems. Computational Discovery of Scientific Knowledge 2007: 248-272
  • Ross D. King, Andreas Karwath, Amanda Clare, Luc Dehaspe: Logic and the Automatic Acquisition of Scientific Knowledge: An Application to Functional Genomics. Computational Discovery of Scientific Knowledge 2007: 273-289
  • Robert Burbidge, Jem J. Rowland, Ross D. King: Active Learning for Regression Based on Query by Committee. IDEAL 2007: 209-218
  • 2006

    Blockeel, H., Schietgat, L., Struyf, J., Dzeroski, S., Clare, A. (2006) Decision Trees for Hierarchical Multilabel Classification: A Case Study in Functional Genomics. In proceedings of PKDD 2006.

    Lu, W., King, R. D. (2006) Disjunctive Bottom Set and Its Computation. In ECAI'06 Workshop on Abduction and Induction in AI and Scientific Modelling (AIAI'06), Riva del Garda, August 29th 2006.

    Bracciali, A., Demetriou, N., Endriss, U., Kakas, A., Lu, W., and Stathis, K. (2006) Crafting the Mind of a PROSOCS Agent. Applied Artificial Intelligence, 20(4-5).

    Soldatova, L., Clare, A., Sparkes, A. and King, R. D. (2006) An ontology for a robot scientist. Bioinformatics 2006 22: 464-471. Also in ISMB 2006. Archived in CADAIR here.

    Soldatova, L. and King, R. D. (2006) An ontology of scientific experiments. To appear in Journal of the Royal Society Interface. Advance access.

    Spasic, I., Dunn, W., Velarde, G., Tseng, A., Jenkins, H., Hardy, N. W., Oliver, S. G., and Kell, D. B. (2006) MeMo: a hybrid SQL/XML approach to metabolomic data management for functional genomics. BMC Bioinformatics 7:281 (2006) doi:10.1186/1471-2105-7-281.

    Clare, A., Karwath, A., Ougham, H. and King, R. D. (2006) Functional Bioinformatics for Arabidopsis thaliana. Bioinformatics 2006 22: 1130-1136

    Sébastien Ferré, Ross D. King: Finding Motifs in Protein Secondary Structure for Use in Function Prediction. Journal of Computational Biology 13(3): 719-731 (2006)


    Ellis, D.I., Broadhurst, D., Rowland, J.J. and Goodacre, R. (2005) Rapid detection method for microbial spoilage using FT-IR and machine learning. In: Rapid Methods for Food and Feed Quality Determination (Eds: van Amerongen, A., Barug, D and Lauwaars, M.) Wageningen Academic Publishers, Wageningen, Netherlands, in press.

    Pritchard, L., Corne, D., Kell, D.B., Rowland, J. & Winson, M. (2005) A general model of error-prone PCR. Journal of Theoretical Biology 234, 497-509.

    Struyf, J., Dzeroski, S. Blockeel, H. and Clare, A. (2005) Hierarchical Multi-classification with Predictive Clustering Trees in Functional Genomics. In proceedings of the EPIA 2005 CMB Workshop. Springer link

    Gareth S. Catchpole, Manfred Beckmann, David P. Enot, Madhav Mondhe, Britta Zywicki, Janet Taylor, Nigel Hardy, Aileen Smith, Ross D. King, Douglas B. Kell, Oliver Fiehn, and John Draper (2005) Hierarchical metabolomics demonstrates substantial compositional similarity between genetically modified and conventional potato crops PNAS 2005;102 14458-14462

    Soldatova, L. N. and King R. D. (2005) Are the Current Ontologies used in Biology Good Ontologies? Nature Biotechnology 23:1095-1098

    The Standard Metabolic Reporting Structures Group (including Nigel Hardy from UWA) (2005) Summary recommendations for standardization and reporting of metabolomic analyses. Nature Biotechnology 23(7):833-838

    Jenkins, H., Johnson, H., Kular, H., Wang, T., Hardy, N. (2005) Towards supportive data collection tools for plant metabolomics. Plant Physiology 138:67-77, abstract, toll free link to full text

    King, R.D., Garrett, S.M., Coghill, G.M. (2005). On the use of qualitative reasoning to simulate and identify metabolic pathways. Bioinformatics 21(9):2017-2026

    Garrett, S. M. (2005) A Survey of Artificial Immune Systems: Are They Useful? Evolutionary Computation (in press).

    Clare, A. (2005) Integration of genomic and phenotypic data. In Data Analysis and Visualization in Genomics and Proteomics, Eds. Francisco Azuaje and Joaquin Dopazo, Wiley, London. ISBN: 0-470-09439-7


    Helen Jenkins, Nigel Hardy, Manfred Beckmann, John Draper, Aileen R Smith, Janet Taylor, Oliver Fiehn, Royston Goodacre, Raoul J Bino, Robert Hall, Joachim Kopka, Geoffrey A Lane, B Markus Lange, Jang R Liu, Pedro Mendes, Basil J Nikolau, Stephen G Oliver, Norman W Paton, Sue Rhee, Ute Roessner-Tunali, Kazuki Saito, Jřrn Smedsgaard, Lloyd W Sumner, Trevor Wang, Sean Walsh, Eve Syrkin Wurtele & Douglas B Kell (2004) A proposed framework for the description of plant metabolomics experiments and their results. Nature Biotechnology 22: 1601 - 1606.

    Whelan, K. E. and King, R. D. (2004) Intelligent software for laboratory automation. Trends in Biotechnology 22 (9): 440-445

    King, R. D. and Ouali, M. (2004) Poly-transformation. In proceedings of 5th International Conference on Intelligent Data Engineering and Automated Learning (IDEAL 2004). Springer LNCS 3177 p99-107

    Clare, A., Williams, H. E. and Lester, N. M. (2004) Scalable Multi-Relational Association Mining. In proceedings of the 4th International Conference on Data Mining ICDM '04.

    Ferré, S. and King, R. D. (2004) A dichotomic search algorithm for mining and learning in domain-specific logics. Fundamenta Informaticae. IOS Press. To appear.

    Allen J. K., Davey H. M., Broadhurst D., Rowland J. J., Oliver S. G. and Kell D. B. (2004) Discrimination of the mode of action of antifungal substances using metabolic footprinting. Applied and Environmental Microbiology. Vol. 70, No. 10, p. 6157-6165.

    Rowland, J. J. (2004) On Genetic Programming and Knowledge Discovery in Transcriptome Data. Proc. IEEE Congress on Evolutionary Computation, Portland, Oregon. pp 158-165. ISBN 0-7803-8515-2.

    Woodward, A.M., Rowland, J.J., Kell, D.B, (2004) Fast automatic registration of images using the phase of a complex wavelet transform: application to proteome gels. Analyst, 129, 6, pp 542-552.

    Coghill, G. M., Garrett, S. M. and King, R. D. (2004) Learning Qualitative Metabolic Models. European Conference on Artificial Intelligence (ECAI'04)

    Ridoux, O. and Ferré, S. (2004) Introduction to logical information systems. Information Processing & Management, 40 (3), 383-419. Elsevier

    King R. D., Whelan, K. E., Jones, F. M., Reiser, P. G. K., Bryant, C. H., Muggleton, S., Kell, D. B. and Oliver, S. G. (2004) Functional genomic hypothesis generation and experimentation by a robot scientist. Nature 427 (6971) p247-252

    Ferré, S. and King, R. D. (2004) BLID: an Application of Logical Information Systems in Bioinformatics. In P. Eklund (editor), 2nd International Conference on Formal Concept Analysis (ICFCA), Feb 2004. LNCS 2961, Springer.

    King, R. D. and Wise, P. H. and Clare, A. (2004) Confirmation of Data Mining Based Predictions of Protein Function. Bioinformatics 20(7), 1110-1118


    Enot, D. and King, R. D. (2003) Application of Inductive Logic Programming to Structure-Based Drug Design. 7th European Conference on Principles and Practice of Knowledge Discovery in Databases (PKDD '03). Springer LNAI 2838 p156-167. Winner of Best Paper Award.

    Rowland, J.J. (2003) Model Selection Methodology in Supervised Learning with Evolutionary Computation. BioSystems 72, 1-2, pp 187-196, Nov.

    Clare, A. and King R.D. (2003) Predicting gene function in Saccharomyces cerevisiae. 2nd European Conference on Computational Biology (ECCB '03). (published as a journal supplement in Bioinformatics 19: ii42-ii49)

    Allen, J., Davey, H.M., Broadhurst, D., Heald, J.K., Rowland, J.J., Oliver, S.G., and Kell, D.B. (2003) High-throughput classification of yeast mutants for functional genomics using metabolic footprinting. Nature Biotechnology Jun;21(6):692-6.

    Rowland, J. J. (2003) Generalisation and Model Selection in Supervised Learning with Evolutionary Computation. European Workshop on Evolutionary Computation in Bioinformatics: EvoBio 2003. Lecture Notes in Computer Science (Springer), Vol 2611, pp 119-130. abstract

    Srinivasan, A., King, R. D. and Bain, M.E. (2003) An Empirical Study of the Use of Relevance Information in Inductive Logic Programming. Journal of Machine Learning Research. 4(Jul):369-383

    Toivonen, H., Srinivasan, A., King, R. D., Kramer, S. and Helma, C. (2003) Statistical Evaluation of the Predictive Toxicology Challenge 2000-2001. Bioinformatics 19: 1183-1193

    Clare, A. and King R.D. (2003) Data mining the yeast genome in a lazy functional language. In Practical Aspects of Declarative Languages (PADL'03) (won Best/Most Practical Paper award). abstract, newsletter

    David P. Enot and Ross D. King (2003). Structure based drug design with inductive logic programming. The ACS National Meeting Spring 2003, New Orleans.


    Nigel Hardy and Helen Fuell (2002). Databases, data modelling and schemas. In: Metabolic Profiling: Its Role in Biomarker Discovery and Gene Function Analysis, George G. Harrigan and Royston Goodacre (Eds). Kluwer Academic Publishers, Boston, ISBN 1-4020-7370-4, 352 pp.

    Robert Hall, Mike Beale, Oliver Fiehn, Nigel Hardy, Lloyd Sumner, and Raoul Bino (2002). Plant Metabolomics: The Missing Link in Functional Genomics Strategies. Plant Cell 14(7): 1437-1440.

    David P. Enot and Ross D. King (2002) The use of Inductive Logic Programming in drug design. Proceedings of the 14th EuroQSAR Symposium (EuroQSAR 2002). Blackwell Publishing, p247-250.

    Janet Taylor, Ross D King, Thomas Altmann and Oliver Fiehn (2002). Application of metabolomics to plant genotype discrimination using statistics and machine learning. 1st European Conference on Computational Biology (ECCB). (published as a journal supplement in Bioinformatics 18: S241-S248).

    Rowland, J.J. and Taylor, J. (2002). Adaptive denoising in spectral analysis by genetic programming. Proc. IEEE Congress on Evolutionary Computation (part of WCCI), May 2002. pp 133-138. ISBN 0-7803-7281-6

    Hesketh, A. R., Chandra, G., Shaw, A. D., Rowland, J. J., Kell, D. B., Bibb, M.J. & Chater, K. F. (2002). Primary and secondary metabolism, and post-translational protein modifications, as portrayed by proteomic analysis of Streptomyces coelicolor. Mol. Microbiol. 46, 917-932

    Draper, J., Darby, R.M., Beckmann, M., Maddison, A.L., Mondhe, M., Sheldrick, C., Taylor, J., Goodacre, R., and Kell, D.B. (2002) Metabolic Engineering, metabolite profiling and machine learning to investigate the phloem-mobile signal in systemic acquired resistance in tobacco. First International Congress on Plant Metabolomics, Wageningen, The Netherlands.

    Ellis, D.I., Broadhurst, D., Kell, D.B., Rowland, J.J. and Goodacre, R. (2002) Rapid and quantitative detection of the microbial spoilage of meat using FT-IR spectroscopy and machine learning. Applied and Environmental Microbiology. 68, 2822-2828.

    Rowland, J.J. (2002) Interpreting Analytical Spectra with Evolutionary Computation. In: Fogel, G.B. and Corne, D.W. (eds), Evolutionary Computation in Bioinformatics. Morgan Kaufmann, San Francisco, pp 341--365, ISBN 1-55860-797-8

    Clare, A. and King R.D. (2002) How well do we understand the clusters found in microarray data? In In Silico Biol. 2, 0046, abstract

    Clare, A. and King R.D. (2002) Machine learning of functional class from phenotype data. Bioinformatics 18(1) 160-166. abstract

    Aoife C. McGovern, David Broadhurst, Janet Taylor, Richard J. Gilbert, Michael K. Winson, Naheed Kaderbhai, David A. Small, Jem J. Rowland, Douglas B. Kell and Royston Goodacre (2002). Monitoring of Complex Industrial Bioprocesses for Metabolite Concentration Using Modern Spectroscopies and Machine Learning. Biotechnology and Bioengineering 78: 527-538.

    G. M. Coghill, S. M. Garrett and R. D. King (2002), Learning Qualitative Models in the Presence of Noise, QR'02 Workshop on Qualitative Reasoning.


    Clare, A. and King R.D. (2001) Knowledge Discovery in Multi-Label Phenotype Data. In proceedings of ECML/PKDD 2001. abstract

    Bryant, C.H., Muggleton, S.H., Oliver, S.G., Kell, D.B., Reiser, P.G.K., King, R.D. (2001) Combining Inductive Logic Programming, Active Learning and Robotics to Discover the Function of Genes. Electronic Transactions in Artificial Intelligence 6(12).

    Reiser, P.G.K., King, R.D., Kell, D.B., Muggleton, S.H., Bryant, C.H., Oliver,S.G. (2001) Developing a Logical Model of Yeast Metabolism. Electronic Transactions in Artificial Intelligence 6(24).

    Alsberg, B.K., Marchand-Geneste, N., & King, R.D. (2001) Modeling quantitative structure-property relationships in calculated reaction pathways using a three-dimensional quantum topological representation. Analytica Chimica Acta (in press).

    Vaidyanathan, S., Rowland, J.J., Kell, D.B. & Goodacre, R. (2001) Rapid discrimination of aerobic endospore-forming bacteria via electrospray-ionisation mass spectrometry of whole cell suspensions. Analytical Chemistry. (In press.)

    Janet Taylor, Jem J. Rowland, Douglas B. Kell. (2001) Spectral analysis via supervised genetic search with application-specific mutations. Proc. CEC 2001: IEEE Congress on Evolutionary Computation. Seoul, South Korea. May 2001. pp 481-486. ISBN 0-7803-6657-3.

    King, R.D., Karwath, A., Clare, A., & Dehaspe, L. (2001) The Utility of Different Representations of Protein Sequence for Predicting Functional Class. Bioinformatics 17, 445-454.

    Helma, C., King, R.D., Kramer, S., & Srinivasan, A. (2001) The predictive toxicology challenge 2000-2001. Bioinformatics. 17, 107-108.

    King, R.D., Srinivasan, A., & Dehaspe, L. (2001) Warmr: A Data Mining Tool for Chemical Data. Journal of Computer-Aided Molecular Design. 15, 173-181.

    Alsberg, B.K., Marchand-Geneste, N., & King, R.D., (2001) A new 3D molecular structure representation based on quantum topology with application to structure-property relationships. Chemometrics and Intelligent Laboratory Systems 54, 75-91

    Léonie M. Raamsdonk, Bas Teusink, David Broadhurst, Nianshu Zhang, Andrew Hayes, Michael C. Walsh, Jan A. Berden, Kevin M. Brindle, Douglas B. Kell, Jem J. Rowland, Hans V. Westerhoff, Karel van Dam and Stephen G. Oliver. (2001) A functional genomics strategy that uses metabolome data to reveal the phenotype of silent mutations Nature Biotech 19, (1), 45-50.


    King, R.D., Karwath, A., Clare, A., & Dehaspe, L. (2000) Accurate prediction of protein functional class in the M. tuberculosis and E. coli genomes using data mining. Yeast (Comparative and Functional Genomics) 17 283-293

    King, R.D., Karwath, A., Clare, A., & Dehaspe, L. (2000) Genome scale prediction of protein functional class from sequence using data mining. In: The Sixth ACM SIGKDD International Conference on Knowledge Discovery and Data Mining. R. Ramakrishnan, S. Stolfo, R. Bayardo, & I Parsa (eds.) The Association for Computing Machinery, New York, USA. pp. 384-389.

    King, R.D., Page, D., & Ouali, M. (2000) Combining Legacy Prediction Systems in Bioinformatics. In: The Fith International Workshop on Multistrategy Learning (MSL 2000) R.S Michalski & P.B. Brazdil (eds.) pp 77-90.

    Ouali, M., & King, R.D. (2000) Cascaded multiple classifiers for secondary structure prediction. Prot. Sci 9, 1162-1176.postscript

    Sternberg, M.J.E., King, R.D., Srinivasan, A., & Muggleton, S.H. (2000) Drug design by machine learning. In: Machine Intelligence 15 (eds. K. Furukawa, D. Michie, S. Muggleton) Oxford University Press, Oxford. pp 328-338.

    Alsberg, B.K., "Parsimonious multiscale classification models". Journal of Chemometrics ,14 (5-6), 529-539, 2000.

    Johnson, H.E., Gilbert, R.J., Winson, M.K., Goodacre, R., Smith, A.R., Rowland, J.J., Hall, M.A. & Kell, D.B. (2000) Explanatory analysis of the metabolome using genetic programming of simple, interpretable rules. Genetic Programming and Evolvable Machines 1, 243-258.

    King R., Garrett S., and Coghill G. M. "Bioinformatic System Identification", Proceedings of the 2nd International Conference on Bio-informatics of Genome Regulation and Structure, Novosibirsk, Russia, August 7-11, 2000.

    Gilbert R.J., Rowland J.J. and Kell D.B., (2000) Genomic computing: explanatory modelling for functional genomics. Proc. Genetic and Evolutionary Computing Conference, GECCO 2000, Las Vegas. 551-557.

    Goodacre, R., Shann, B., Gilbert, R.J., Timmins, E.M., McGovern, A.C., Alsberg, B.K., Kell, D.B. and Logan, N.A. The detection of the dipicolinic acid biomarker in Bacillus spores using Curie-point pyrolysis mass spectrometry and Fourier-transform infrared spectroscopy. Analytical Chemistry, 72, 119-127, (2000).

    Kell, D.B. and R.D. King, On optimising classes for the assignment of URFs in functional genomics programmes: the need for machine learning. Trends in Biotechnol., 2000. 18, pp 93-98.

    pre 2000

    Srinivasan,A. & King, R. D. (1999) .Feature construction with Inductive Logic Programming: A study of quantitative predictions of biological activity aided by structural attributes. Data Mining and Knowledge Discovery (1999) 3, 1, 37-57

    Dehaspe, L., H. Toivonen, and R.D. King. Finding frequent substructures in chemical compounds. in Fourth International Conference on Knowledge Discovery and Data Mining. 1998. Menlo Park, Ca: AAAI Press. Voted best paper in applications category - from 250 submissions.

    Shaw, A.D., Winson, M.K., Woodward, A.M., McGovern, A., Davey, H.M., Kaderbhai, N., Broadhurst, D.I., Gilbert, R.J., Taylor, J., Timmins, É.M., Alsberg, B.K., Rowland, J.J., Goodacre, R. & Ke ll, D.B. (1999) Rapid analysis of high-dimensional bioprocesses using multivariate spectroscopies and advanced chemometrics. Adv. Biochem. Eng. 66, 83-113.

    Alsberg, B.K., "Multiscale cluster analysis". Analytical chemistry, 71, 3092 - 3100, (1999)

    Alsberg, B.K., Wade, W.G. and Goodacre, R. "Chemometric analysis of diffuse reflectance-absorbance Fourier transform infrared spectra using rule induction methods: application to the classification of Eubacterium species". Applied Spectroscopy (1998) 52(6), 72-102.

    Alsberg,B.K., Kell, D.B. and Goodacre, R. Variable selection in discriminant partial least  squares analysis. Analytical Chemistry 70 (19) 4126-4133 (1998)

    J. Taylor, R. Goodacre, W. G. Wade, J. J. Rowland, & D. B. Kell. (1998). The deconvolution of pyrolysis mass spectra using genetic programming: application to the identification of some Eubacterium species. FEMS Microbiology Letters. 160, 237 - 246.

    B.K. Alsberg, A.M. Woodward, M.K.Winson, J.J. Rowland and D.B. Kell. Wavelet denoising of infrared spectra. Analyst. 122, 7, pages 645-652. 1997

    B. K. Alsberg, A. M. Woodward, M. K. Winson, J. J. Rowland, and D. B. Kell. (1998). "Variable selection in wavelet regression models", Analytica Chimica Acta, 368, pp 29 - 44.

    A. Jones, D. Young, J. Taylor, D. B. Kell & J. J. Rowland. (1998) Quantification of microbial productivity via multi-angle light scattering and supervised learning. Biotechnol. Bioengineering. 59, 2, pp 131 - 143.

    King, R.D., & Srinivasan, A. (1997) The discovery of indicator variables for QSAR using inductive logic programming Journal of Computer-Aided Molecular Design. 1997. 11, 571-580 ISSN: 0920-654X^.

    A. Jones, J. J. Rowland, A. M. Woodward, and D. B. Kell. (1997). An instrument for the acquisition and analysis of the nonlinear dielectric spectra of biological samples. Trans. Inst. Meas. Control, 19, 5, pp 223 - 330.

    Srinivasan, A., King, R.D., Muggleton, S.H. & Sternberg, M.J.E. (1997) The predictive toxicology evaluation challenge In: Fifteenth International Joint Conference on Artificial Intelligence. , Morgan Kaufmann, San Francisco, 4-9.

    King, R.D., Saqi, M., Sayle, R., & Sternberg, M.J.E. (1997) DSC: public domain protein secondary structure prediction CABIOS. 13, 473-474.

    M. K. Winson, R. Goodacre, É. Timmins, A. Jones, B. K. Alsberg, A. M. Woodward, J. J. Rowland, and D. B. Kell. Diffuse Reflectance Absorbance Spectroscopy Taking In Chemometrics (DRASTIC). A hyperspectral FT-IR-based approach to rapid screening for metabolite overproduction. Anal. Chim. Acta 348, pp 273-282, 1997.

    D. Broadhurst, R. Goodacre, A. Jones, J.J. Rowland, and D.B. Kell. Genetic algorithms as a method for variable selection in PLS regression, with applications to pyrolysis mass spectrometry. Anal. Chim. Acta, 348, pp 71-86, 1997.

    King, R.D., Muggleton, S.H., Srinivasan, A., & Sternberg, M.J.E. (1996) Structure activity relationships derived by machine learning: The use of atoms and their bond connectivities to predict mutagenicity using inductive logic programming. Proc. Nat. Acad. Sci. U.S.A. 93, 438-442.

    A. M. Woodward, A. Jones, X. -Z. Zhang, J. J. Rowland and D. B. Kell. Rapid and non-invasive quantification of metabolic substrates in biological cell suspensions using nonlinear dielectric spectroscopy with multivariate calibration and artificial neural networks. Principles and applications. Bioelectrochem. Bioenerg., 40, pages 99-132, 1996.

    King, R.D., Hirst, J.D., Sternberg, M.J.E. (1995) A comparison of artificial intelligence methods for modelling pharmaceutical QSARs. Applied Artificial Intelligence. 9, 213-234.

    Sternberg, M.J.E., King, R.D., Lewis, R.A., & Muggleton, S. (1994) Application of machine learning to structural molecular biology. Phil. Trans. R. Soc. Lond. B. 344. 365-371.