Journal Publications


  1. P.W.Araujo and R.G.Brereton, Experimental Design 1. Screening, Trends in Analytical Chemistry, 15, 26-31 (1996) (view online)

  2. P.W.Araujo and R.G.Brereton, Experimental Design 2. Optimisation, Trends in Analytical Chemistry, 15, 63-70 (1996) (view online)

  3. P.W.Araujo and R.G.Brereton, Experimental Design 3. Quantitation, Trends in Analytical Chemistry, 15, 156-163 (1996) (view online)

  4. S.P.Gurden, R.G.Brereton and. J.A.Groves, Resolution of Multicomponent Mixture Spectra by Mid- Infrared Spectroscopy using Spherical Projection Factor Analysis: Application to Real Data including a Six-component Mixture Set, Analyst, 121, 441-450 (1996) (view online)

  5. C.Demir, R.G.Brereton and M.Dumasia, Detection of quinine and its metabolites in horse urine by gas chromatography–mass spectrometry, Analyst, 121, 651-662 (1996) (view online)

  6. D.A.Cirovic, R.G.Brereton, P.T.Walsh, J.Ellwood and E.Scobbie, Application of partial least squares calibration to measurements of polycyclic aromatic hydrocarbons in coal tar pitch volatiles, Analyst, 121, 575-580 (1996) (view online)

  7. A.K.Elbergali, R.G.Brereton and A.Rahmani, Influence of the Method of Calculation of Noise Thresholds on Wavelength Selection in Window Factor Analysis of Diode Array High Performance Liquid Chromatography,Analyst, 121, 585-590 (1996) (view online)

  8. P.W.Araujo, D.A.Cirovic and R.G.Brereton, Multivariate Calibration of Chlorophyll a using PLS and Electronic Absorption Spectroscopy,Analyst, 121, 581-584 (1996) (view online)

  9. D.A.Cirovic, R.Jacobsen and R.G.Brereton, Instrumental Noise Distribution in Electronic Absorption Spectrometry, Anal. Commun., 33, 231-234 (1996) (view online)

  10. P.Hindmarch, C.Demir and R.G.Brereton, Deconvolution and Spectral Clean-up of Two-component Mixtures by Factor Analysis of Gas Chromatographic - Mass Spectrometric Data, Analyst,121, 993-1001 (1996) (view online)

  11. C.Demir, P.Hindmarch and R.G.Brereton, Procrustes analysis for the determination of number of significant masses in gas chromatography–mass spectrometry ,Analyst, 121, 1443-1453 (1996) (view online)


  1. P.Araujo and R.G.Brereton, Visualisation of Confidence in Two-factor Designs where Model, Replication and Star Points are varied, Analyst, 122, 621-630 (1997) (view online)

  2. C.Demir and R.G.Brereton, Calibration of Gas Chromatography-Mass Spectrometry of Two-component Mixtures Using Univariate Regression and Two- and Three-Way Partial Least Squares, Analyst, 122, 631-638 (1997) (view online)

  3. P.Hindmarch, K.Kavianpour and R.G.Brereton, Evaluation of PARAFAC for the resolution of kinetic data by diode array HPLC, Analyst, 122, 871-878 (1997) (view online)

  4. K.Zissis, R.G.Brereton and R.Escott, Monitoring of impurities using DAD-HPLC: eigenvalue plots of partially overlapping tailing peaks, Analyst, 122, 1007-1014 (1997) (view online)

  5. F.R.Burden, R.G.Brereton and P.Walsh, Cross-validatory Selection of Test and Validation sets in Multivariate Calibration and Neural Networks as applied to Spectroscopy, Analyst, 122, 1015-1022 (1997) (view online)

  6. R.G.Brereton, Multilevel Multifactor Designs for Multivariate Calibration, Analyst, 122, 1521-1529 (1997) (view online)


  1. C. Demir and R.G.Brereton, Multivariate calibration on designed mixtures of four pharmaceuticals, Analyst, 123, 181-189 (1998) (view online)

  2. K.D.Zissis, R.G.Brereton and R.Escott, Partial Least Squares Calibration of Two-Way Diode-Array HPLC Chromatograms: Influence of Calibration Design, Noise and Peak Spectra, Analyst, 123, 1165-1173 (1998) (view online)

  3. R.G.Brereton and D.V.McCalley, Evaluation Procedures for Reversed-Phase HPLC Columns in the Analysis of Strongly Basic Compounds using Principal Components Analysis for Data Assessment, Analyst, 123, 1175-1185 (1998) (view online)

  4. J.Aybar Munoz and R.G.Brereton, Partial Factorial Designs for Multivariate Calibration: Extension to Seven Levels and Comparison of Strategy, Chemometrics Intell. Lab. Systems, 43, 89-105 (1998) (view online)

  5. D.V.McCalley and R.G.Brereton, High Performance Liquid Chromatography of basic compounds. Problems, possible solutions and tests of reversed-phase columns, J. Chromatography A, 828, 407-420 (1998) (view online)

  6. S.Dunkerley, J.Crosby, R.G.Brereton, K.D.Zissis and R.E.A.Escott, Chemometric Analysis of High Performance Liquid Chromatography - Diode Array Detector - Electrospray Mass Spectrometry of 2- and 3-Hydroxypyridine, Analyst, 123, 2021-2034 (1998) (view online)

  7. K.Kavianpour and R.G.Brereton, Chemometric Methods for the Determination of Selective Regions in Diode Array Detector High Performance Liquid Chromatography of Mixtures: Application to Chlorophyll a Allomers, Analyst, 123, 2035-2042 (1998) (view online)


  1. K. D. Zissis, R. G. Brereton, S. Dunkerley, R. E. A. Escott, Two-way, unfolded three-way and three-mode partial least squares calibration of diode array HPLC chromatograms for the quantitation of low-level pharmaceutical impurities, Analytica Chimica Acta, 384, 71-81 (1999) (view online)

  2. K. D. Zissis, R. G. Brereton, S. Dunkerley, Principal components scores and loadings plots for visualisation of the electrospray ionisation liquid chromatography mass spectra of a mixture of chlorophyll degradation products at different cone voltages, Rapid Communications in Mass Spectrometry, 13, 1755-1761 (1999) (view online)

  3. R. G. Brereton, D. V. McCalley, Procrustes analysis for the comparison of test methods in reversed-phase high performance liquid chromatography of basic compounds, Analyst, 124, 227-238 (1999) (view online)

  4. S. Dunkerley, R. G. Brereton, J. Crosby, A comparison of deconvolution methods as applied to high performance liquid chromatography-diode array detector-electrospray mass spectrometry of 2-and 3-hydroxypyridine at varying pH in the presence of severely tailing peak shapes, Chemometrics Intell. Lab. Systems, 48, 99-119 (1999) (view online)

  5. R. G. Brereton, S. Dunkerley, Deconvolution of partially overlapping tailing peaks in diode array high performance liquid chromatography using purity ratios, Analyst, 124, 705-711 (1999) (view online)

  6. K. D. Zissis, S. Dunkerley, R. G. Brereton, Chemometric techniques for exploring complex chromatograms: application of diode array detection high performance liquid chromatography electrospray ionisation mass spectrometry to chlorophyll alpha allomers, Analyst, 124, 971-979 (1999) (view online)

  7. C. Bessant, R. G. Brereton, S. Dunkerley, Integrated processing of triply coupled diode array liquid chromatography electrospray mass spectrometric signals by chemometric methods, Analyst, 124, 1733-1744. (1999) (view online)


  1. C.Demir, P. Hindmarch, R.G. Brereton, Deconvolution of a three-component co-eluting peak cluster in gas chromatography-mass spectrometry, Analyst, 125, 287-292 (2000) (view online)

  2. C.Y.Airiau, R.G.Brereton, S.Dunkerley, Quantitative Resolution of overlapping tailing peaks obtained by diode-array detector high performance liquid chromatography in the absence of pure standards using simple chemical knowledge, Analyst, 125, 833-842 (2000) (view online)

  3. R.G.Brereton, Chemists' Toolkit : Chemometrics, Chemistry in Britain, 36, 38-31 (2000)

  4. M.Meloun, J.Capek, P.Miksik, R.G.Brereton, Critical comparison of methods predicting the number of components in spectroscopic data, Analytica Chimica Acta, 423, 51-68 (2000) (view online)

  5. R.G.Brereton, Introduction to Multivariate Calibration in Analytical Chemistry, Analyst, 125, 2125-2154 (2000) (view online)


  1. C.Y.Airiau, R.G.Brereton, J.Crosby, High-performance liquid chromatography/electrospray tandem mass spectrometry of polycyclic aromatic hydrocarbons, Rapid Commun Mass Spectrometry, 15, 135-140 (2001) (view online)

  2. K.Service, R.G.Brereton, S.Harris, Analysis of Badger Urine Volatiles using Gas Chromatography Mass Spectrometry and Pattern Recognition Techniques, Analyst, 126, 615-623 (2001) (view online)

  3. C.Y.Airiau, H.Shen, R.G.Brereton, Principal Component Analysis in Liquid Chromatography Proton Nuclear Magnetic Resonance: Differentiation of Three Regio-Isomers, Analytica Chimica Acta, 447, 199-210 (2001) (view online)


  1. H.Shen, C.Y.Airiau, R.G.Brereton, Resolution of LC-1HNMR data applied to a three component mixture of polyaromatic hydrocarbons, J. Chemometrics, 16, 165-175 (2002) (view online)

  2. H.Shen, C.Y.Airiau, R.G.Brereton, Resolution of on-flow liquid chromatography proton Nuclear Magnetic Resonance using canonical correlation and constrained linear regression, Chemometrics Intell. Lab. Systems, 62, 61-78 (2002) (view online)

  3. M.Meloun, J.Militký, M.Hill, R.G.Brereton, Crucial problems in Regression Modelling and their solutions, Analyst, 127, 433-450 (2002) (view online)

  4. T.J.Thurston, R.G.Brereton, Estimation of second order rate constants using chemometric methods with kinetic constraints, Analyst, 127, 659-668 (2002) (view online)

  5. M.Meloun, J.Militký, K.Kupka, R.G.Brereton The effect of influential data, model and method on the precision of univariate calibration, Talanta, 57, 721-740 (2002) (view online)

  6. H.Shen, C.Y.Airiau, R.G.Brereton Resolution of on-flow LC-NMR data by multivariate methods - a comparison, J. Chemometrics, 16, 469-481 (2002) (view online)


  1. H.Shen, J.F.Carter, R.G.Brereton, C.Eckers, Discrimination between Tablet Production Methods using Pyrolysis-Gas Chromatography-Mass Spectrometry and Pattern Recognition, Analyst, 128, 287-292 (2003) (view online)

  2. T.J.Thurston, R.G.Brereton, D.J. Foord, R.E.A.Escott, Monitoring of a Second-Order Reaction by Electronic Absorption Spectroscopy using Combined Chemometric and Kinetic Models, J. Chemometrics, 17, 313-322 (2003) (view online)

  3. M.Wasim, M.S.Hassan, R.G.Brereton, Evaluation of Chemometric Methods for Determining the Number and Position of Components in High-Performance Liquid Chromatography Detected by Diode Array Detector and On-Flow 1H Nuclear Magnetic Resonance Spectroscopy, Analyst, 128, 1082-1090 (2003) (view online)


  1. A.R.Carvalho, R.G.Brereton, T.J.Thurston, R.E.A.Escott, Influence of Different Sources of Error on Estimated Kinetics Parameters for a Second Order Reaction, Chemom. Intell. Lab. Syst., 71, 47-60 (2004) (view online)

  2. L. Hejazi, D. E. Mohammadi, Y.Yamini, R G. Brereton, Solid-phase extraction and Simultaneous Spectrophotometric Determination of Trace Amounts of Co, Ni and Cu using Partial Least Squares Regression, Talanta, 62, 185-191 (2004) (view online)

  3. S.Zomer, R.G.Brereton, J.F.Carter, C.Eckers, Support Vector Machines for the Discrimination of Analytical Chemical Data: Application to the Determination of Tablet Production by Pyrolysis-gas Chromatography Mass Spectrometry, Analyst, 129, 175-181 (2004) (view online)

  4. R.G.Brereton, M.Devonshire, Genotyping using Single Nucleotide Polymorphism, Fluorescence Spectroscopy and Pattern Recognition, Analyst, 129, 249-253 (2004) (view online)

  5. T.J.Thurston, R.G.Brereton, D J Foord, R.E.A.Escott, Principal Components Plots for Exploratory Investigation of Reactions using Ultraviolet Visible Spectroscopy. Application to the Formation of Benzophenone Phenylhydrazone, Talanta, 63, 757-769 (2004) (view online)

  6. M.Wasim, R.G.Brereton, Determination of the Number of Significant Components in Liquid Chromatography Nuclear Magnetic Resonance Spectroscopy, Chemometrics Intell. Lab. Systems, 72, 133– 151 (2004) (view online)

  7. S.Zomer, C.Guillo, R.G.Brereton, M.Hanna-Brown, Toxicological Classification of Urine Samples using Pattern Recognition Techniques and Capillary Electrophoresis, Anal. Bioanal. Chem., 378, 2008-2020 (2004) (view online)

  8. S. Zomer, M.Sánchez, R.G. Brereton, J.LPérez Pavón, Active Learning Support Vector Machines for Optimal Sample Selection in Classification, J. Chemometrics, 18, 294-305 (2004) (view online)


  1. Y. Xu, R.G.Brereton, A Comparative Study of Cluster Validation Indices Applied To Genotyping Data, Chemometrics Intell. Lab. Systems, 78, 30-40 (2005) (view online)

  2. K.A. Ebejer, R.G.Brereton, J.F. Carter, S.L. Richards, R. Sleeman, Rapid Evaluation of the Occurrence of Diamorphine on Individual Banknotes by Tandem Mass Spectrometry, Rapid Communications in Mass Spectrometry, 19, 2137-2143 (2005) (view online)

  3. M.Wasim, R.G.Brereton, Application of Evolving Factor Analysis to On-flow LC-NMR Data Using Spectral Windows, Chemometrics Intell. Lab. Systems, 78, 51-62, (2005) (view online)

  4. Y.Xu, R.G.Brereton, , Diagnostic pattern recognition on Gene Expression Profile Data by using One-Class Classification, , J. Chem. Inf. Modelling, , 45, 1392-1401 (2005) (view online)

  5. R.G.Brereton, Chemometrics and PAT, PAT journal, 2 (3), 8-11 (2005)

  6. S.Zomer, R.G.Brereton, J-C. Wolff, C.Y.Airiau, C.Smallwood, , Component Detection Weighted Index of Analogy: Similarity Recognition on Liquid Chromatographic Mass Spectral Data for the Characterisation of Route/Process Specific Impurities in Pharmaceutical Tablets, , Analytical Chemistry, 77, 1607-1621 (2005) (view online)

  7. M.Wasim, R.G.Brereton, Application of Multivariate Curve Resolution Methods to On-flow LC-NMR, J. Chromatography A, 1096, 2-15 (2005) (view online)


  1. A.R.Carvalho, M.N.Sanchez, J.Wattoom, R.G.Brereton, Comparison of PLS and kinetic models for a second order reaction as monitored using ultraviolet visible and mid infrared spectroscopy, Talanta, 68 1190-1200 (view online)

  2. A.R.Carvalho, J.Wattoom, L.Zhu, R.G.Brereton, , Combined kinetics and iterative target transformation factor analysis for spectroscopic monitoring of reactions, Analyst, 131, 90-97 (2006) (view online)

  3. B.M.Lukasiak, S.Zomer, R.G.Brereton, R.Faria, J.C.Duncan, Pattern Recognition for the Analysis of Polymeric Materials, Analyst, 131, 73-80 (2006) (view online)

  4. S.J.Dixon, R.G.Brereton, J.F.Carter, R.Sleeman, Determination of cocaine contamination on banknotes using tandem mass spectrometry and pattern recognition, Analytica Chimica Acta, 559, 54-63 (2006) (view online)

  5. M.Wasim, R.G.Brereton, Determination of number of significant components and key variables using genetic algorithms in liquid chromatography-nuclear magnetic resonance spectroscopy, Chemometrics Intell. Lab. Systems, 81, 209-217 (2006) (view online)

  6. M. Wasim, R. G. Brereton, Hard modelling methods for the curve resolution of data from liquid chromatography with diode array detector and on-flow liquid chromatography with nuclear magnetic resonance spectroscopy, Journal of Chemical Information and Modeling 46, 1143-1153 (2006) (view online)

  7. S.J.Dixon, R.G.Brereton, H.A.Soini, M.V.Novotny, D.J.Penn, An Automated Method for Peak Detection and Matching in Large Gas Chromatography-Mass Spectrometry Data Sets, J. Chemometrics, 20, 325-340 (2006) (view online)

  8. H.A. Soini, K.E.Bruce, I.Klouckova, R.G.Brereton,D.J.Penn, M.V.Novotny, In-situ surface sampling of biological objects and preconcentration of their volatiles for chromatographic analysis, Analytical Chemistry 78, 7161 -7168 (2006) (view online)

  9. Y.Xu, S.Zomer, R.G.Brereton, Support Vector Machines: a Recent Method for Classification in Chemometrics, Critical Reviews in Analytical Chemistry, 36, 177 - 188 (2006) (view online)

  10. R.G.Brereton, Consequences of sample sizes, variable selection, model validation and optimisation for predicting classification ability from analytical data, Trends in Analytical Chemistry, 25, 1103-1111 (2006) (view online)


  1. K.A. Ebejer, G.R. Lloyd, R.G. Brereton, J.F.Carter, R.Sleeman, Factors influencing the contamination of UK banknotes with drugs of abuse, Forensic Science International, 171, 165-170 (2007) (view online)

  2. B. M. Lukasiak, S. Zomer, R. G. Brereton, R. Faria, J. C. Duncan, Pattern recognition and feature selection for the discrimination between grades of commercial plastics, Chemometrics Intell. Lab. Systems, 87, 18-25 (2007) (view online)

  3. L.Zhu, R.G.Brereton, D.R.Thompson, P.L.Hopkins, R.E.A.Escott, On-line HPLC combined with multivariate statistical process control for the monitoring of reactions, Analytica Chimica Acta, 584, 370-378 (2007) (view online)

  4. D.J.Penn, E.Oberzaucher, K.Grammer, G.Fischer, H.A.Soini, D.Wiesler, M.V.Novotny, S.J.Dixon, Y.Xu, R.G.Brereton, Individual and gender fingerprints in human body odour, Journal of The Royal Society Interface, 4, 331-340 (2007) (view online)

  5. S.J.Dixon, Y.Xu, R.G.Brereton, A.Soini , M.V.Novotny, E.Oberzaucher, K.Grammer, D.J.Penn, Pattern Recognition of Gas Chromatography Mass Spectrometry of Human Volatiles in Sweat to distinguish the Sex of Subjects and determine potential Discriminatory Marker Peaks, Chemometrics Intell. Lab. Systems, 87, 161–172 (2007) (view online)

  6. R.Faria, J.C.Duncan, R.G.Brereton, Dynamic Mechanical Analysis and Chemometrics for Polymer Identification, Polymer Testing, 26, 402-412 (2007) (view online)

  7. Y.Xu, R.G.Brereton, Automated Single Nucleotide Polymorphism Analysis using Fluorescence Excitation-Emission Spectroscopy and One-Class Classifiers, Analytical and Bioanalytical Chemistry, 388, 655-664 (2007) (view online)

  8. Y.Xu, S.J.Dixon, R.G.Brereton, H.A.Soini, M.V.Novotny, K.Trebesius, I.Bergmaier, E.Oberzaucher, K.Grammer, D.J.Penn, Comparison of human axillary odour profiles obtained by gas chromatography mass spectrometry and skin microbial profiles obtained by denaturing gradient gel electrophoresis using multivariate pattern recognition, Metabolomics, 3, 427-437 (2007) (view online)

  9. G.Lloyd, R.Faria, R.G.Brereton, J.C.Duncan, Learning vector quantization for multi-class classification: application to characterization of plastics, Journal of Chemical Information and Modeling, 47, 1553-1563 (2007) (view online)

  10. Y.Xu, R.G.Brereton, K.Trebesius, I.Bergmaier, E.Oberzaucher, K.Grammer, D.J.Penn, A fuzzy distance metric for measuring the dissimilarity of planar chromatographic profiles with application to denaturing gradient gel electrophoresis data from human skin microbes: demonstration of an individual and gender-based fingerprint, Analyst, 132, 638-646 (2007) (view online)

  11. Y.Xu, F.Gong, S.J.Dixon, R.G. Brereton, H.A.Soini, M.V. Novotny, E. Oberzaucher, K. Grammer, D.J.Penn Application of Dissimilarity Indices, Principal Co-ordinates Analysis and Rank Tests to Peak Tables in Metabolomics of the Gas Chromatography Mass Spectrometry of Human Sweat , Analytical Chemistry, 79, 5633-5641 (2007) (view online)


  1. G. R. Lloyd, R. G. Brereton, J. C. Duncan, Self Organising Maps for distinguishing polymer groups using thermal response curves obtained by dynamic mechanical analysis, Analyst, 133, 1046-1059 (2008) (view online)

  2. S. Kittiwachana, D. L. S. Ferreira, L. A. Fido, D. R. Thompson, R. E. A. Escott and R. G. Brereton, Dynamic Analysis Of On-Line High- Performance Liquid Chromatography For Multivariate Statistical Process Control, Journal of Chromatography A, 1213, 130-144 (2008) (view online)


  1. S. J. Dixon, R. G. Brereton, Comparison of performance of five common classifiers represented as boundary methods: Euclidean Distance to Centroids, Linear Discriminant Analysis, Quadratic Discriminant Analysis, Learning Vector Quantization and Support Vector Machines, as dependent on data structure, Chemometrics Intell. Lab. Systems, 95, 1-17 (2009) (view online)

  2. S. Zomer, S. J. Dixon, Y. Xu, S. P. Jensen, H. Wang, C. V. Lanyon, A. G. O'Donnell, A. S. Clare, L. M. Gosling, D. J. Penn, R. G. Brereton, Consensus Multivariate methods in Gas Chromatographic Mass Spectrometry and Denaturing Gradient Gel Electrophoresis : MHC-congenic and other strains of mice can be classified according to the profiles of volatiles and microflora in their scent-marks, Analyst, 134, 114-123 (2009) (view online)

  3. S. J. Dixon, N. Heinrich, M. Holmboe, M. L. Schaefer, R. R. Reed, J. Trevejo, R. G. Brereton, Use of cluster separation indices and the influence of outliers: application of two new separation indices, the modified silhouette index and the overlap coefficient to simulated data and mouse urine metabolomic profiles, J. Chemometrics, 23, 19-31 (2009) (view online)

  4. K. Wongravee, N. Heinrich, M. Holmboe, M. L. Schaefer, R. R. Reed, J. Trevejo, R. G. Brereton, Variable Selection using Iterative Reformulation of Training Set Models for Discrimination of Samples: Application to Gas Chromatography/Mass Spectrometry of Mouse Urinaty Metabolites, Analytical Chemistry, 81, 5204-5217 (2009) (view online)

  5. K. Wongravee, G. R. Lloyd, J. Hall, M. Holmboe, M. L. Schaefer, R. R. Reed, J. Trevejo, R. G. Brereton, Monte-Carlo methods for determining optimal number of significant variables. Application to mouse urinary profiles, Metabolomics, 5, 387-406 (2009) (view online)

  6. D. L. S. Ferreira, S. Kittiwachana, L. A. Fido, D. R. Thompson, R. E. A. Escott, R. G. Brereton, Multilevel simultaneous component analysis for fault detection in multicampaign process monitoring: application to on-line high performance liquid chromatography of a continuous process, Analyst, 134, 1571-1585 (2009) (view online)

  7. G. R. Lloyd, K. Wongravee, C. J. L. Silwood, M. Grootveld, R. G. Brereton, Self organising maps for variable selection: Application to human saliva analysed by nuclear magnetic resonance spectroscopy to investigate the effect of an oral healthcare product, Chemometrics Intell. Lab. Systems, 98, 149-161 (2009) (view online)

  8. G. R. Lloyd, S. Ahmad, M. Wasim, R. G. Brereton, Pattern Recognition of Inductively Coupled Plasma Atomic Emission Spectroscopy of Human Scalp Hair for Discriminating between Healthy and Hepatitis C Patients, Analytica Chimica Acta, 649, 33-42 (2009) (view online)

  9. S. J. Dixon, N. Heinrich, M. Holmboe, M. L. Schaefer, R. R. Reed, J. Trevejo, R. G. Brereton, Application of Classification Methods when Group Sizes are Unequal by Incorporation of Prior Probabilities to Three Common Approaches: Application to Simulations and Mouse Urinary Chemosignals, Chemometrics Intell. Lab. Systems, 99, 111-120 (2009) (view online)


  1. R.G.Brereton, G.R.Lloyd, Support Vector Machines for classification and regression, Analyst, 135, 230-267 (2010) (view online)

  2. K. Wongravee, G.R. Lloyd, C. J. Silwood, M. Grootveld, R.G. Brereton, Supervised Self Organizing Maps for classification and determining potentially discriminatory variables: illustrated by application to NMR metabolomic profiling, Analytical Chemistry, 82, 629-639 (2010) (view online)

  3. S. Kittiwachana, D.L.S. Ferreira., G.R. Lloyd, L.A.Fido, D.R.Thompson, R.E.A. Escott, R.G. Brereton, One class classifiers for process monitoring illustrated by the application to on-line hplc of a continuous process, J. Chemometrics, 24, 96-110 (2010) (view online)

  4. D.Li. G.R.Lloyd, J.C.Duncan, R.G.Brereton, Disjoint hard models for classification, J. Chemometrics, 24, 273-287 (2010) (view online)

  5. M. L. Schaefer, K. Wongravee, M. E. Holmboe, N. M. Heinrich, S. J. Dixon, J. E. Zeskind, H. M. Kulaga, R. G. Brereton, R. R. Reed, J. M. Trevejo, Mouse urinary biomarkers provide signatures of maturation, diet, stress level, and diurnal rhythm, Chemical Senses, in press (2010) (view online)

  6. D. L. S. Ferreira, S. Kittiwachana, L. A. Fido, D. R. Thompson, R. E. A. Escott, R. G. Brereton, Windows Consensus PCA for multiblock statistical process control: adaption to small and time dependent Normal Operating Condition regions, illustrated by on-line High Performance Liquid Chromatography of a three stage continuous process, J. Chemometrics, 24, 596-609 (2010) (view online)

  7. S. Kittiwachana, D. L. S. Ferreira, L. A. Fido, D. R. Thompson, R. E. A. Escott, R. G. Brereton, Self Organizing Map Quality Control Index, Analytical Chemistry, 82, 5972-5982 (2010) (view online)

  8. S. F. Sim, V. Sagi-Kiss, R. G. Brereton, Self Organizing Maps and Support Vector Regression as aids to Coupled Chromatography : illustrated by Predicting Spoilage in Apples using Volatile Organic Compounds Reference, Talanta, in press (2010) (view online)

  9. H. A. Soini, I. Klouckova, D. Wiesler, E. Oberzaucher, K. Grammer, S. J. Dixon, Yun Xu, R. G. Brereton, D. J. Penn, M. V. Novotny, Analysis of Volatile Organic Compounds in Human Saliva by a Static Sorptive Extraction Method and Gas Chromatography-Mass Spectrometry, J. Chem. Ecol., 36, 1035–1042 (2010) (view online)