ChemoAC: its contribution to the advancement of Chemometrics

The impact of ChemoAC—a consortium of industry and the laboratory headed by Professor Massart at the Vrije Universiteit Brussel—on the advancement of Chemometrics is discussed by reviewing its 50 most important chemometric papers. Copyright © 2007 John Wiley & Sons, Ltd.

[1]  Vasil Simeonov,et al.  A comparison between two robust PCA algorithms , 2004 .

[2]  Desire L. Massart,et al.  Classification and Regression Trees-Studies of HIV Reverse Transcriptase Inhibitors , 2004, J. Chem. Inf. Model..

[3]  Desire L. Massart,et al.  Estimation of partial least squares regression prediction uncertainty when the reference values carry a sizeable measurement error , 2003 .

[4]  Desire L. Massart,et al.  Projection methods in chemistry , 2003 .

[5]  D L Massart,et al.  An evaluation of direct orthogonal signal correction and other preprocessing methods for the classification of clinical study lots of a dermatological cream. , 2002, Journal of pharmaceutical and biomedical analysis.

[6]  Desire L. Massart,et al.  Methods for outlier detection in prediction , 2002 .

[7]  S. D. Jong,et al.  Three-way principal component analysis applied to food analysis: an example , 2002 .

[8]  D. Massart,et al.  A comparison of two algorithms for warping of analytical signals , 2002 .

[9]  Desire L. Massart,et al.  Feature selection in principal component analysis of analytical data , 2002 .

[10]  Y. Heyden,et al.  Guidance for robustness/ruggedness tests in method validation. , 2001, Journal of pharmaceutical and biomedical analysis.

[11]  Johanna Smeyers-Verbeke,et al.  Operational definitions of uncertainty , 2001 .

[12]  D. Massart,et al.  Exploratory chemometric analysis of the classification of pharmaceutical substances based on chromatographic data. , 2000, Journal of Chromatography A.

[13]  Desire L. Massart,et al.  Study of method validation criteria in a capillary electrophoresis method for the separation of non-steroidal anti-inflammatory drugs , 2000 .

[14]  J. R. Torres-Lapasió,et al.  Resolution of multicomponent peaks by orthogonal projection approach, positive matrix factorization and alternating least squares , 2000 .

[15]  Beata Walczak,et al.  Comparison of Multivariate Calibration Techniques Applied to Experimental NIR Data Sets , 2000 .

[16]  Johanna Smeyers-Verbeke,et al.  Comparison of several criteria to decide on the significance of effects in a robustness test with an asymmetrical factorial design , 2000 .

[17]  D. Massart,et al.  The Mahalanobis distance , 2000 .

[18]  D. Massart,et al.  The influence of data pre-processing in the pattern recognition of excipients near-infrared spectra. , 1999, Journal of Pharmaceutical and Biomedical Analysis.

[19]  D L Massart,et al.  Identification of pharmaceutical excipients using NIR spectroscopy and SIMCA. , 1999, Journal of pharmaceutical and biomedical analysis.

[20]  Desire L. Massart,et al.  Rough sets theory , 1999 .

[21]  D. Massart,et al.  On-line application of the orthogonal projection approach (OPA) and the soft independent modelling of class analogy approach (SIMCA) for the detection of the end point of a polymorph conversion reaction by near infrared spectroscopy (NIR) , 1999 .

[22]  Y. Heyden,et al.  Interlaboratory studies on two high-performance liquid chromatographic assays for tylosin (tartrate) , 1999 .

[23]  D. L. Massart,et al.  Purity assessment and resolution of tetracycline hydrochloride samples analysed using high-performance liquid chromatography with diode array detection , 1999 .

[24]  D L Massart,et al.  An experimental design approach to the optimisation of a flow injection analysis method for glycine. , 1999, Journal of pharmaceutical and biomedical analysis.

[25]  Onno E. de Noord,et al.  Application of Fourier transform to multivariate calibration of near-infrared data , 1998 .

[26]  D. Massart,et al.  On-Line Monitoring of Powder Blending with Near-Infrared Spectroscopy , 1998 .

[27]  D L Massart,et al.  Comparison of classification approaches applied to NIR-spectra of clinical study lots. , 1998, Journal of pharmaceutical and biomedical analysis.

[28]  D. Massart,et al.  Application of wavelet transform to extract the relevant component from spectral data for multivariate calibration. , 1997, Analytical chemistry.

[29]  Desire L. Massart,et al.  Wavelets — something for analytical chemistry? , 1997 .

[30]  Desire L. Massart,et al.  Resolution of multicomponent overlapped peaks by the orthogonal projection approach, evolving factor analysis and window factor analysis , 1997 .

[31]  D. Massart,et al.  Elimination of uninformative variables for multivariate calibration. , 1996, Analytical chemistry.

[32]  Desire L. Massart,et al.  Multivariate peak purity approaches , 1996 .

[33]  D. Massart,et al.  Standardization of near-infrared spectrometric instruments , 1996 .

[34]  D. Massart,et al.  Orthogonal projection approach applied to peak purity assessment. , 1996, Analytical chemistry.

[35]  M. S. Khots,et al.  D-optimal designs , 1995 .

[36]  Riccardo Leardi,et al.  Genetic Algorithms as a Tool for Wavelength Selection in Multivariate Calibration , 1995 .

[37]  D. L. Massart,et al.  Ruggedness tests on the high-performance liquid chromatography assay of the United States Pharmacopeia xxii for tetracycline hydrochloride - a comparison of experimental-designs and statistical interpretations , 1995 .

[38]  Desire L. Massart,et al.  Comparison of semirobust and robust partial least squares procedures , 1995 .

[39]  Desire L. Massart,et al.  Comparison of multivariate methods based on latent vectors and methods based on wavelength selection for the analysis of near-infrared spectroscopic data , 1995 .

[40]  D L Massart,et al.  An analysis of the Washington Conference Report on bioanalytical method validation. , 1994, Journal of pharmaceutical and biomedical analysis.

[41]  H. R. Keller,et al.  Heuristic evolving latent projections: resolving two-way multicomponent data. 2. Detection and resolution of minor constituents , 1992 .

[42]  H. R. Keller,et al.  Peak purity control in liquid chromatography with photodiode-array detection by a fixed size moving window evolving factor analysis , 1991 .

[43]  D. Massart,et al.  Exploratory study on median-based robust regression methods for linear calibration in atomic absorption spectrometric analysis , 1989 .

[44]  Desire L. Massart,et al.  An expert system for the selection of criteria for selectivity optimization in high-pressure liquid chromatography , 1988 .

[45]  D. Massart,et al.  UNEQ: a disjoint modelling technique for pattern recognition based on normal distribution , 1986 .

[46]  P. Rousseeuw,et al.  Least median of squares: a robust method for outlier and model error detection in regression and calibration , 1986 .

[47]  D. Coomans,et al.  Comparison of Multivariate Discrimination Techniques for Clinical Data— Application to the Thyroid Functional State , 1983, Methods of Information in Medicine.

[48]  D. Massart,et al.  Application of information theory and numerical taxonomy to the selection of gas-liquid chromatography stationary phases , 1975 .

[49]  Desire L. Massart,et al.  The Selection of Preferred Liquid Phases After Classification By Numerical Taxonomy Techniques , 1974 .

[50]  D. Massart.  The use of information theory for evaluating the quality of thin-layer chromatographic separations. , 1973, Journal of chromatography.

[51]  Meinke Ww,et al.  ANALYTICAL A Fading. , 1970 .

[52]  H. Kaiser.  Report for analytical chemists. II. Quantitation in elemental analysis , 1970 .

[53]  J. Robinson.  Undergraduate Analytical Chemistry , 1968 .