see year: 1999|2000|2001|2002|2003| 2004|2005|2006|2007|2008| 2009|2010|2011|2012|2013|2014|2015|2016|2017|

List of published articles and book chapters:

    2017

  1. J. Tobin, J . Walach, D. de Beer, P. J. Williams, P. Filzmoser, B. Walczak, Untargeted analysis of chromatographic data for green and fermented rooibos: problem with size effect removal, J. Chromatography A, sub.
  2. R. G. Brereton, J. Jansen, J. Lopes, F. Marini, A. Pomerantsev, O. Rodionova, J.M.l Roger, R. Tauler, B. Walczak, A Chemometrics Tutorial (Part 1), Analytical and Bioanalytical Chemistry, sub.
  3. J. Walach, P. Filzmoser, K. Hron, B. Walczak, L. Najdekr, Robust biomarker identification in a two-class problem based on pairwise log-ratios, Chemoemtrics and Intelligent Laboratory Systems, sub.
  4. F. Marini, D. de Beer, N. A. Walters, A. de Villiers, E. Joubert, B. Walczak, Multivariate analysis of variance of designed chromatographic data. A case study involving fermentation of rooibos tea , J. Chromatogramphy A, 1489 (2017) 115-125
    IF=3.926
  5. S. C. Bosman, D. de Beer, T. Beelders, E. L. Willenburg, C. J. Malherbe, B. Walczak, E. Joubert, Simultaneous optimisation of extraction of xanthone and benzophenone alfa-glucosidase inhibitors from Cyclopia genistoides and identification of superior genotypes for propagation, Journal of Functional Food, 33 (2017) 21-31
    IF=3.973
  6. 2016

  7. A. Dworak, M. Nykiel, B. Walczak, A. Miazek, D. Szworst-Lupina, B. Zagdanska, M. Kielkiewicz, Maize proteomic responses to separate or overlapping soil drought and two-spoted spider mite stresses, Planta, 244 (2016) 939-960
    IF=3.239
  8. 2015

  9. F. Marini, B. Walczak, Particle Swarm Optimization (PSO). A tutorial, Chemometrics and Intelligent Laboratory Systems, 149 (2015) 153-165
    IF=2.321
  10. F. Marini, D. de Beer, E. Joubert, B. Walczak, Analysis of variance of designed chromatographic data sets: The analysis of variance-target projection approach, Journal of Chromatography A, 1405 (2015) 94-102
    IF=4.169
  11. A. Martyna, A. Michalska, G. Zadora, Interpretation of FTIR spectra of polymers and Raman spectra of car paints by means of likelihood ratio approach supported by wavelet transform for reducing data dimensionality, Analytical and Bioanalytical Chemistry, 407 (2015) 3357-3376
  12. IF=3.578
  13. P. Wlasiuk, A. Martyna, G. Zadora, An effect of selection of a smoothing parameter on the performance of likelihood ratio models for solving classification task, Chemometrics and Intelligent Laboratory Systems, 144 (2015) 87-99
  14. IF=2.381
  15. P. Wlasiuk, A. Martyna, G. Zadora, A likelihood ratio model for the determination of the geographical origin of olive oil, Analytica Chimica Acta, 853 (2015) 187-199
  16. IF=4.517
  17. K. Kocot, R. Leardi, B. Walczak, R. Sitko, Determination and speciation of trace and ultratrace selenium ions by energy-dispersive X-ray fluorescence spectrometry using graphene as solid adsorbent in dispersive micro-solid phase extraction, Talanta 134 (2015) 360-365
    IF = 3.511
  18. 2014

  19. P. Filzmoser, B. Walczak, What can go wrong at the data normalization step for identification of biomarkers?, J. Chromatography A, 1362 (2014) 194-205
    IF = 4.258
  20. R. Tauler, F. Marini, B. Walczak, L. Buydens, R. G. Brereton, W. Buchberger, P. J. Worsfold, European Analytical Column No. 42, Chemometrics and analytical chemistry, Analytical and Bioanalytical Chemistry, 406 (2014) 3525-3529
    IF = 3.66
  21. J. Orzel, M. Daszykowski, M. Kazura, D. Beerb, E. Joubertb, A. E. Schulzec, T. Beeldersc, A. de Villiersd, C. J. Malherbeb, B. Walczak, Modeling of the total antioxidant capacity of rooibos (Aspalathus linearis) tea infusions from chromatographic fingerprintsand identification of potential antioxidant markers , Journal of Chromatography A, 1366 (2014) 101-109
    IF = 4.258
  22. A. Martyna, G. Zadora, I. Stanimirova, D. Ramos, Wine authenticity verification as a forensic problem: An application of likelihood ratio test to label verification, Food Chemistry, 150 (2014) 287-295
    IF = 3.334
  23. 2013

  24. I. Stanimirova, M. Kazura, D. de Beer, E. Joubert, A.E. Schulze, T. Beelders, A. de Villiers, B. Walczak, High-dimensional nested analysis of variance to assess the effect of production season, quality grade and steam pasteurization on the phenolic composition of fermented rooibos herbal tea, Talanta, 115 (2013) 590-599
    IF=3.498
  25. I. Stanimirova, M. Daszykowski, B. Walczak, Robust Methods in Analysis of Multivariate Food Chemistry Data. In Federico Marini, editors: Chemometrics in Food Chemistry, Vol 28, DHST, Chennai: Elsevier, 2013, pp. 315-340
  26. V. Shapaval, B. Walczak, S. Gognies, T. Moretro, H. P. Suso, A. Wold Asli, A. Belarbie A. Kohler, FTIR spectroscopic characterization of differently cultivated food related yeasts, Analyst, 138 (2013) 4129-4138
    IF=3.969
  27. P. Zerzucha, M. Kazura, D. de Beer, E. Joubert, A.E. Schulze, T. Beelders, A. de Villiers, B. Walczak, A new concept for variance analysis of hyphenated chromatographic data avoiding signal warping, Journal of Chromatography A, 1291 (2013) 64-72
    IF=4.612
  28. P. Zerzucha, K. Pytlakowska, K. Kocot, Spectroscopic and electric properties of C.I. Mordant Blue 29: a theoretical and experimental study, New Journal of Chemistry, 37 (2013) 2810-2820
    IF=2.966
  29. M. Dabioch, R. Skorek, A. Kita, P. Janoska, K. Pytlakowska, P. Zerzucha, R. Sitko, A study on adsorption of metals by activated carbon in large-scale (municipal) process of surface water purification, Central European Journal of Chemistry, 11 (2013) 742-753
    IF=1.167
  30. 2012

  31. J. Orzel, M. Daszykowski, I. Grabowski, G. Zaleszczyk, M. Sznajder, B. Walczak, Simultaneous determination of solvent yellow 124 and solvent red 19 using fluorescence spectroscopy and chemometrics, Talanta, 101 (2012) 78-84
    IF=3.794
  32. P. Zerzucha, B. Walczak, Concept of (dis)similarity in data analysis, Trends in Analytical Chemistry, 38 (2012) 116-128
    IF=6.351
  33. P. Zerzucha, B. Walczak, Again about PLS and feature selection, Chemometrics and Intelligent Laboratory Systems, 115 (2012) 9-17
    IF=2.291
  34. P. Zerzucha, D. Boguszewska, B. Zagdanska, B. Walczak, Non-parametric multivariate analysis of variance in proteomic response of potato to the drought stress, Analytica Chimica Acta, 719 (2012) 1-7
    IF=4.387
  35. J. Poledniok, A. Kita, P. Zerzucha, Spectrophotometric and Inductively Coupled Plasma-Optical Emission Spectroscopy Determination of Gallium in Natural Soils and Soils Polluted by Industry: Relationships between Elements, Communications in Soil Science and Plant Analysis, 43 (2012) 1121-1135
    IF=0.420
  36. J. Orzel, M. Daszykowski, B. Walczak, Controlling sugar quality on the basis of fluorescence fingerprints using robust calibration, Chemometrics and Intelligent Laboratory Systems, 110 (2012) 89-93
    IF=2.291
  37. P. Zerzucha, M. Daszykowski, B. Walczak, Dissimilarity partial least squares applied to non-linear modeling problems, Chemometrics and Intelligent Laboratory Systems, 110 (2012) 156-162
    IF=2.291
  38. 2011

  39. I. Stanimirova, R. Tauler, B. Walczak, A comparison of positive matrix factorization and the weighted multivariate curve resolution method. Application to environmental data, Environmental Science & Technology 45 (2011) 10102-10110
    IF=4.825
  40. M. Daszykowski, J. Orzel, M.S. Wrobel, H. Czarnik-Matusewicz, B. Walczak, Improvement of classification using robust soft classification rules for near-infrared reflectance spectral data, Chemometrics and Intelligent Laboratory Systems, 109 (2011) 86-93
    IF=2.222
  41. P.-Y. Sacre, E. Deconinck, M. Daszykowski, P. Courselle, R. Vancauwenberghe, P. Chiapc, J. Crommen, J.O. De Beer, Impurity fingerprints for the identification of counterfeit medicines - a feasibility study, Analytica Chimica Acta, 701 (2011) 224-231
    IF=4.310
  42. F. Marini, B. Walczak, Finding relevant clustering directions in high-dimensional data using Particle Swarm Optimization, Journal of Chemometrics, 25 (2011) 366-374
    IF=1.377
  43. B. Hachula, P. Zerzucha, M. Zubko, J. Kusz, 6-Chloro-2-oxindole: X-ray and DFT-calculated study, Acta Crystallographica Section C, C67 (2011) o413-o416
    IF=0.745
  44. K. Pytlakowska, P. Zerzucha, R. Czoik, Influence of mixed cationic-nonionic surfactants systems on spectral properties of Chromazurol S and its complexes with iron (III), Analytical Sciences, 27 (2011) 555-560
    IF=1.465
  45. I. Stanimirova, K. Michalik, Z. Drzazga, P.D. Wentzell, B. Walczak, Interpretation of ANOVA models using PCA to assess the effect of a maternal anticancer treatment on the mineralization of rat bones, Analytica Chimica Acta, 689 (2011) 1-7
    IF=4.310
  46. I. Stanimirova, C. Boucon, B. Walczak, Relating gas chromatographic profiles to sensory measurements describing the end products of the Maillard reaction, Talanta, 83 (2011) 1239-1246
    IF=3.722
  47. M. Daszykowski, B. Walczak, Methods for the exploratory analysis of two-dimensional chromatographic signals, Talanta, 83 (2011) 1088-1097
    IF=3.722
  48. 2010

  49. R. Polanski, B. Walczak, Estimation of the number of true null hypotheses when conducting a multiple testing, Chemometrics and Intelligent Laboratory Systems, 104 (2010) 281-288
    IF=2.222
  50. B. Walczak, M. Daszykowski, Chemometria w proteomice i metabolomice, in Proteomika i metabolomika, A. Kraj, A. Drabik, J. Silberring (Eds.), WUW, Warszawa, 2010
  51. M. Daszykowski, A. Bierczynska-Krzysik, J. Silberring, B. Walczak, Avoiding spots detection in analysis of electrophoretic gel images, Chemometrics and Intelligent Laboratory Systems, 104 (2010) 2-7
    IF=2.222
  52. M. Daszykowski, Y. Vander Heyden, C. Boucon, B. Walczak, Automated alignment of one-dimensional chromatographic fingerprints, Journal of Chromatography A, 1217 (2010) 6127-6133
    IF=4.194
  53. A.J. Charlton, M.S. Wrobel, I. Stanimirova, M. Daszykowski, H. Grundy, B. Walczak, Multivariate discrimination of wines with respect to their grape varieties and vintages, European Food Research and Technology, 231 (2010) 733-743
    IF=1.585
  54. M. Daszykowski, I. Stanimirova, B. Walczak, Robust methods in QSAR, in Recent Advances in QSAR Studies: Methods and Applications, M.T.D. Cronin, J. Leszczynski, T. Puzyn (Eds.), Springer, 2010
  55. I. Stanimirova, B. Ustun, T. Cajka, K. Riddellova, J. Hajslova, L.M.C. Buydens, B. Walczak, Tracing the geographical origin of honeys using the GCxGC-MS and pattern recognition techniques, Food Chemistry, 118 (2010) 171-176
    IF=3.458
  56. 2009

  57. M. Daszykowski, M. Sajewicz, J. Rzepa, M. Hajnos, D. Staszek, L. Wojtal, T. Kowalska, M. Waksmundzka-Hajnos, B. Walczak, Comparative analysis of chromatographic fingerprints of twenty different sage (Salvia L.) species, Acta Chromatographica, 4 (2009) 513-530
    IF=0.676
  58. M. Dumarey, A.M. van Nederkassel, I. Stanimirova, M. Daszykowski, F. Bensaid, M. Lees, G.J. Martin, J.R. Desmurs, J. Smeyers-Verbeke, Y. Vander Heyden, Recognizing paracetamol formulations with the same synthesis pathway based on their trace-enriched chromatographic impurity profiles, Analytica Chimica Acta, 655 (2009) 43-51
    IF=3.757
  59. P.K. Suder, A. Bodzon-Kulakowska, P. Mak, A. Bierczynska-Krzysik, M. Daszykowski, B. Walczak, G. Lubec, J.H. Kotlinska, J. Silberring, The proteomic analysis of primary cortical astrocyte cell culture after morphine administration, Journal of Proteome Research, 8 (2009) 4633-4640
    IF=5.132
  60. A. Bodzon-Kulakowska, P. Suder, P. Mak, A. Bierczynska-Krzysik, G. Lubec, B. Walczak, J. Kotlinska, J. Silberring, Proteomic analysis of striatal neuronal cell cultures after morphine administration, Journal of Separation Science, 32 (2009) 1200-1210
    IF=2.551
  61. M. Daszykowski, M.S. Wrobel, A. Bierczynska-Krzysik, J. Silberring, G. Lubec, B. Walczak, Automatic preprocessing of electrophoretic images, Chemometrics and Intelligent Laboratory Systems, 97 (2009) 132-140
    IF=2.111
  62. M. Daszykowski, E. Mosleth Faegestad, H. Grove, H. Martens, B. Walczak, Matching 2D gel electrophoresis images with Matlab 'Image Processing Toolbox', Chemometrics and Intelligent Laboratory Systems, 96 (2009) 188-195
    IF=2.111
  63. I. Stanimirova, A. Kita, E. Malkowski, E. John, B. Walczak, N-way exploration of environmental data obtained from sequential extraction procedure, Chemometrics and Intelligent Laboratory Systems, 96 (2009) 203-209
    IF=2.111
  64. S.D. Brown, R. Tauler, B. Walczak, Comprehensive Chemometrics, a four-set volume, Elsevier, Amsterdam, 2009
  65. M. Daszykowski, B. Walczak, Density-based clustering methods, S.D. Brown, R. Tauler, B. Walczak, Eds., in "Comprehensive Chemometrics", vol. 2, Elsevier, 2009, pp. 635-654
  66. M. Musial, S. A. Kucharski, P. Zerzucha, T. Kus, R. J. Bartlett, Excited and ionized states of the ozone molekule with full triplet coupled cluster methods, Journal of Chemical Physics, 131 (2009) 194104-194113
    IF=3.093
  67. 2008

  68. M. Daszykowski, B. Walczak, Analiza czynnikow glownych i inne metody eksploracji danych, in A. Parczewski and D. Zuba, eds., Chemometria w analityce, IES, Krakow, 2008 (ISBN 83-87425-13-3)
  69. I. Stanimirova, M. Daszykowski, B. Walczak, Metody uczenia z nadzorem - kalibracja, dyskryminacja i klasyfikacja, in A. Parczewski and D. Zuba, eds., Chemometria w analityce, IES, Krakow, 2008 (ISBN 83-87425-13-3)
  70. M. Daszykowski, M.S. Wrobel, H. Czarnik-Matusewicz, B. Walczak, Near-infrared reflectance spectroscopy and multivariate calibration techniques applied to model the protein, fiber and fat contents in rapeseed meal, The Analyst, 133 (2008) 1523-1531
    IF=3.761
  71. T.R.M. De Beer, C. Bodson, B. Dejaegher, B. Walczak, P. Vercruysse, A. Burggraeve, A. Lemos, L. Delattre, Y. Vander Heyden, J.P. Remon, C. Vervaet, W.R.G. Baeyens, Raman spectroscopy as a process analytical technology (PAT) tool for the in-line monitoring and understanding of a powder blending process, Journal of Pharmaceutical and Biomedical Analysis, 48 (2008) 772-779
    IF=2.629
  72. M. Daszykowski, M. Hawryl, M. Waksmundzka-Hajnos, B. Walczak, Identification of similar and orthogonal chromatographic thin layer systems for two-dimensional separations of flavonoids and their analogues, Acta Chromatographica, 20 (2008) 283-307
    IF=0.621
  73. E. Deconinck, A.M. van Nederkassel, I. Stanimirova, M. Daszykowski, F. Bensaid, M. Lees, G.J. Martin, J.R. Desmurs, J. Smeyers-Verbeke, Y. Vander Heyden, Isotopic ratios to detect infringements of patents or proprietary processes of pharmaceuticals: Two case studies, Journal of Pharmaceutical and Biomedical Analysis, 48 (2008) 27-41
    IF=2.629
  74. I. Stanimirova, B. Walczak, Classification of data with missing elements and outliers, Talanta, 76 (2008) 602-609
    IF=3.206
  75. T. Czekaj, W. Wu, B. Walczak, Classification of genomic data: some aspects of feature selection, Talanta, 76 (2008) 564-574
    IF=3.206
  76. M. Daszykowski, R. Danielsson, B. Walczak, No-alignment-strategies for exploring a set of two-way data tables obtained from capillary electrophoresis-mass spectrometry, Journal of Chromatography A, 1192 (2008) 157-165
    IF=3.641
  77. I. Stanimirova, A. Kubik, B. Walczak, J.W. Einax, Discrimination of biofilm samples using pattern recognition techniques, Analytical and Bioanalytical Chemistry, 390 (2008) 1273-1282 -> get pdf
    IF=3.328
  78. 2007

  79. M. Daszykowski, B. Walczak, Target selection for alignment of chromatographic signals obtained using monochannel detectors, Journal of Chromatography A, 1176 (2007) 1-11*
    IF=3.641
  80. M. Daszykowski, Y. Vander Heyden, B. Walczak, Robust partial least squares model for prediction of green tea antioxidant capacity from chromatograms, Journal of Chromatography A, 1176 (2007) 12-18*
    IF=3.641
  81. E.M. Faergestad, M. Rye, B. Walczak, L. Gidskehaug, J.P. Wold, H. Grove, X. Jia, K. Hollung, U.G. Indahl, F. Westad, F. van den Berg, H. Martens, Pixel-based analysis of multiple images for the identification of changes: A novel approach applied to unravel proteome patters of 2-D electrophoresis gel images, Proteomics, 7 (2007) 3450-3461
    IF=5.479
  82. I. Stanimirova, M. Polowniak, R. Skorek, A. Kita, E. John, F. Buhl, B. Walczak, Chemometric analysis of the water purification process data, Talanta, 74 (2007) 153-162
    IF=3.374
  83. M. Daszykowski, W. Wu, A.W. Nicholls, R.J. Ball, T. Czekaj, B. Walczak, Identifying potential biomarkers in LC-MS data, Journal of Chemometrics, 21 (2007) 292-302*
    IF=1.367
  84. M. Daszykowski, From Projection Pursuit to other unsupervised chemometric techniques, Journal of Chemometrics, 21 (2007) 270-279*
    IF=1.367
  85. M. Daszykowski, I. Stanimirova, A. Bodzon-Kulakowska, J. Silberring, G. Lubec, B. Walczak, The start-to-end processing of two-dimensional gel electrophoretic images, Journal of Chromatography A, 1158 (2007) 306-317
    IF=3.641
  86. M. Daszykowski, K. Kaczmarek, I. Stanimirova, Y. Vander Heyden, B. Walczak, Robust SIMCA - bounding influence of outliers, Chemometrics and Intelligent Laboratory Systems, 87 (2007) 121-129*
    IF=2.063
  87. I. Stanimirova, M. Daszykowski, B. Walczak, Dealing with missing values and outliers in principal component analysis, Talanta, 72 (2007) 172-178*
    IF=3.374
  88. M. Daszykowski, S. Serneels, K. Kaczmarek, P. Van Espen, C. Croux, B. Walczak, TOMCAT: a MATLAB toolbox for multivariate calibration techniques, Chemometrics and Intelligent Laboratory Systems, 85 (2007) 269-277*
    IF=2.063
  89. M. Daszykowski, K. Kaczmarek, Y. Vander Heyden, B. Walczak, Robust statistics in data analysis - a review. Basic concepts, Chemometrics and Intelligent Laboratory Systems, 85 (2007) 203-219*
    IF=2.063
  90. I. Stanimirova, S. Serneels, P.J. Van Espen, B. Walczak, How to construct a multiple regression model for data with missing elements and outlying objects, Analytica Chimica Acta, 581 (2007) 324-332
    IF=3.186
  91. T. Pluta, P. Zerzucha, Molecular electric response properties of tetracyanoethene (TCNE), tetraethynylethene (TEE) and related systems, in: "Supramolecular Chemistry and Advanced Materials" (W. Macyk, K. Szacilowski), Wydzial Chemii, Uniwersytet Jagiellonski, Krakow 2007
    /*this work received financial support from the Foundation for Polish Science/

    2006

  92. M. Daszykowski, B. Walczak, Use and abuse of chemometrics in chromatography, Trends in Analytical Chemistry, 25 (2006) 1081-1096
    IF=5.068
  93. R. Put, M. Daszykowski, T. Baczek, Y. Vander Heyden, Retention prediction of peptides based on uninformative variable elimination by partial least squares, Journal of Proteome Research, 5 (2006) 1618-1625*
    IF=5.151
  94. A.M. van Nederkassel, M. Daszykowski, P.H.C. Eilers, Y. Vander Heyden, A comparison of three algorithms for chromatograms alignment, Journal of Chromatography A, 1118 (2006) 199-210
    IF=3.554
  95. I. Stanimirova, K. Zehl, D.L. Massart, Y. Vander Heyden, J.W. Einax, Chemometric analysis of soil pollution data applying the Tucker N-way method, Analytical and Bioanalytical Chemistry, 385 (2006) 771-773
    IF=2.591
  96. W. Wu, M. Daszykowski, B. Walczak, B.C. Sweatman, S.C. Connor, J.N. Haselden, D.J. Crowther, R.W. Gill, M.W. Lutz, Peak alignment of urine NMR spectra using fuzzy warping, Journal of Chemical Information and Modeling, 46 (2006) 863-875
    IF=3.423
  97. E. Van Gyseghem, B. Dejaegher, R. Put, P. Forlay-Frick, A. Elkihel, M. Daszykowski, K. H?rger, D.L. Massart, Y. Vander Heyden, Evaluation of chemometric techniques to select orthogonal chromatographic systems, Journal of Pharmaceutical and Biomedical Analysis, 41 (2006) 141-151
    IF=2.032

  98. /*this work received financial support from the Foundation for Polish Science/

    2005

  99. X. Capron, B. Walczak, O.E. de Noord, D.L. Massart, A modification of ICOMP criterion for estimation of PCR model complexity, Journal of Chemometrics, 19 (2005) 308-316
    IF=1.875
  100. T. Czekaj, W. Wu, B. Walczak, About kernel latent variable approaches and SVM, Journal of Chemometrics, 19 (2005) 341-354
    IF=1.875
  101. A.M. van Nederkassel, M. Daszykowski, D.L. Massart, Y. Vander Heyden, Prediction of total green tea antioxidant capacity from chromatograms by multivariate modeling, Journal of Chromatography A, 1096 (2005) 177-186
    IF=3.096
  102. B. Walczak, Book Review: Statistical treatment of analytical data, Zeev B. Alfassi, Zvi Boger and Yigal Ronen, Blackwell Publishing, Oxford, UK, 2004, 272 pages, ISBN 0-63-205367-4, Trends in Analytical Chemistry, 24 (2005) V
    IF=4.088
  103. I. Stanimirova, M. Daszykowski, E. Van Gyseghem, F.F. Bensaid, M. Lees, J. Smeyers-Verbeke, D.L. Massart, Y. Vander Heyden, Chemometrical exploration of an isotopic ratio data set of acetylsalicylic acid, Analytica Chimica Acta, 552 (2005) 1-12
    IF=2.760
  104. M. Daszykowski, I. Stanimirova, B. Walczak, F. Daeyaert, M.R. de Jonge, J. Heeres, L.M.H. Koymans, P.J. Lewi, H.M. Vinkers, P.A. Janssen, D.L. Massart, Improving QSAR models for biological activity of HIV Reverse Transcriptase inhibitors: Aspects of outlier detection and uninformative variable elimination, Talanta, 68 (2005) 54-60
    IF=2.391
  105. S. Caetano, T. Decaesstecker, R. Put, M. Daszykowski, J. Van Bocxlaer, Y. Vander Heyden, Exploring and modelling the responses of electrospray and atmospheric pressure chemical ionization techniques based on molecular descriptors, Analytica Chimica Acta, 550 (2005) 92-106
    IF=2.760
  106. M. Daszykowski, I. Stanimirova, B. Walczak, D. Coomans, Explaining a presence of groups in analytical data in terms of original variables, Chemometrics and Intelligent Laboratory Systems, 78 (2005) 19-29
    IF=1.770
  107. I. Stanimirova, B. Walczak, D.L. Massart, Multiple Factor Analysis in environmental chemistry, Analytica Chimica Acta, 545 (2005) 1-12
    IF=2.760
  108. S. Caetano, J. Aires-de-Sousa, M. Daszykowski, Y. Vander Heyden, Prediction of enantioselectivity using chirality codes and Classification and Regression Trees, Analytica Chimica Acta, 544 (2005) 315-326
    IF=2.760
  109. B. Walczak, W. Wu, Fuzzy warping of chromatograms, Chemometrics and Intelligent Laboratory Systems, 77 (2005) 173-180
    IF=1.770
  110. X. Capron, B. Walczak, O.E. de Noord, D.L. Massart, Selection and weighting of samples in multivariate regression model updating, Chemometrics and Intelligent Laboratory Systems, 76 (2005) 205-214
    IF=1.770
  111. K. Kaczmarek, B. Walczak, S. de Jong, B.G.M. Vandeginste, Baseline reduction in two dimensional gel electrophoresis images, Acta Chromatographica, 15 (2005) 82-96 ->get pdf
    IF=0.500
  112. F. Questier, R. Put, D. Coomans, B. Walczak, Y. Vander Heyden, The use of CART and multivariate regression trees for supervised and unsupervised feature selection, Chemometrics and Intelligent Laboratory Systems, 76 (2005) 45-54
    IF=1.770
  113. I. Stanimirova, M. Daszykowski, D.L. Massart, F. Questier, V. Simeonov, H. Puxbaum, Chemometrical exploration of the wet precipitation chemistry from the austrian monitoring network (1988-1999), Journal of Environmental Management, 74 (2005) 349-363
    IF=1.163
  114. T. Pluta, P. Zerzucha, Polarizability and hyperpolarizability of pyrrole and phosphole, Annals of Pol. Chem. Soc., 4, (2005), 642-645

    2004

  115. F. Estienne, F. Despagne, B. Walczak, O.E. de Noord, D.L. Massart, A comparison of multivariate calibration techniques applied to experimental NIR data sets. Part III: Robustness against instrumental perturbation conditions, Chemometrics and Intelligent Laboratory Systems, 73 (2004) 207-218
    IF=1.899
  116. M. Daszykowski, B. Walczak, D.L. Massart, Density-based clustering for exploration of analytical data, Analytical and Bioanalytical Chemistry, 380 (2004) 370-372 (invited paper for Special Issue on Chemometrics in Analytical Chemistry)
    IF=2.098
  117. I. Stanimirova, B. Walczak, D.L. Massart, V. Simeonov, C.A. Saby, E. Di Crescenzo, STATIS, a 3-way method for data analysis. Application to environmental data, Chemometrics and Intelligent Laboratory Systems, 73 (2004) 219-233
    IF=1.899
  118. I. Stanimirova, B. Walczak, D.L. Massart, V. Simeonov, A comparison between two robust PCA algorithms, Chemometrics and Intelligent Laboratory Systems, 71 (2004) 83-95
    IF=1.899
  119. Q.-S. Xu, M. Daszykowski, B. Walczak, F. Daeyaert, M.R. de Jonge, J. Heeres, L.M.H. Koymans, P.J. Lewi, H.M. Vinkers, P.A. Janssen, D.L. Massart, Multivariate Adaptive Regression Splines - studies of HIV reverse transcriptase inhibitors, Chemometrics and Intelligent Laboratory Systems, 72 (2004) 27-34
    IF=1.899
  120. M. Daszykowski, B. Walczak, Q.-S. Xu, F. Daeyaert, M.R. de Jonge, J. Heeres, L.M.H. Koymans, P.J. Lewi, H.M. Vinkers, P.A. Janssen, D.L. Massart, Classification and Regression Trees - studies of HIV Reverse Transcriptase Inhibitors, Journal of Chemical Information and Computer Sciences, 44 (2004) 716-726
    IF=2.810
  121. K. Kaczmarek, B. Walczak, S. de Jong, B.G.M Vandeginste, Preprocessing of two-dimensional gel electrophoresis images, Proteomics, 4 (2004) 2377-2389
    IF=5.766
  122. T. Pluta, P. Zerzucha, Electric polarizability and hyperpolarizability of NCCN, NCCP, PCCP, Journal of Computational Methods in Science and Engineering, 4, (2004), 345-355
    IF=0.560
  123. P. Zerzucha, T. Pluta, Wyznaczanie molekularnych wlasnosci elektrycznych molekul H2CX (X=Se, Te) z wykorzystaniem efektywnych potencjalow rdzenia (ECP), in: "Na pograniczu chemii i biologii" (H. Koroniak, J. Barciszewski), 11, (2004), 149-157.
  124. P. Zerzucha, T. Pluta, Effective core potentials (ECP) calculations of molecular electric properties, Annals of Pol. Chem. Soc., 3, (2004), 481-484

    2003

  125. A. Smolinski, B. Walczak, J.W. Einax, Robust Multivariate Calibration in Environmental Studies, Analytical Letters, 36 (2003) 2317-2336
    IF=0.929
  126. K. Kaczmarek, B. Walczak, S. de Jong, B.G.M. Vandeginste, Matching of 2D gel electrophoresis images, Journal of Chemical Information and Computer Sciences, 43 (2003) 978-986
    IF=3.078
  127. K. Kaczmarek, B. Walczak, S. de Jong, B.G.M. Vandeginste, Comparison of image transformations methods used in matching of 2D gel electrophoresis images, Acta Chromaptographica, 13 (2003) 7-21 -> get full paper
  128. M. Daszykowski, B. Walczak, D.L. Massart, Projection methods in chemistry, Chemometrics and Intelligent Laboratory Systems, 65 (2003) 97-112
    IF=2.229
  129. B. Walczak, K. Kaczmarek, Zautomatyzowane dopasowywanie obrazu dwuwymiarowej elektroforezy zelowej, Materialy Konferencyjne II Konferencji "Chemometria - metody i zastosowania", Zakopane, 16-19.10.2003; Wydawnictwo Instytutu Ekspertyz Sadowych, Krakow 2003, p. 55-77
  130. J.A. Fernez Pierna, L. Jin, M. Daszykowski, F. Wahl, D.L. Massart, A methodology to detect outliers/inliers in prediction with PLS, Chemometrics and Intelligent Laboratory Systems, 68 (2003) 17-28
    IF=2.229
  131. M. Daszykowski, B. Walczak, D.L. Massart, A journey into low-dimensional spaces with Autoassociative Neural Networks, Talanta, 59 (2003) 1095-1105
    IF=2.091
  132. E. Van Gyseghem, S. Hemelrijck, M. Daszykowski, F. Questier, D.L. Massart, Y. Vander Heyden, Determining orthogonal chromatographic systems prior to the development of methods to characterise impurities in drugs, Journal of Chromatography A, 988 (2003) 77-93
    IF=2.922
  133. B. Walczak, M. Daszykowski, Metody kompresji i wizualizacji wielowymiarowych danych chemicznych, Proceedings II Conference "Chemometria - metody i zastosowania", Cracow (2003) 78-99
  134. A. Chmielowska, P. Zerzucha, T. Pluta, Dipole moment and polarizability of furan and chlorofuran, Annals of Pol. Chem. Soc., 2, (2003), 904-907

    2002

  135. K. Kaczmarek, B. Walczak, S. de Jong, B.G.M. Vandeginste, Feature based fuzzy matching of 2D gel electrophoresis images, Journal of Chemical Information and Computer Sciences, 42 (2002) 1431-1442
    IF=2.902
  136. M. Daszykowski, B. Walczak, D.L. Massart, Looking for Natural Patterns in Analytical Data. 2. Tracing Local Density with OPTICS, Journal of Chemical Information and Computer Sciences, 42 (2002) 500-507
    IF=2.902
  137. M. Daszykowski, B. Walczak, D.L. Massart, Representative subset selection, Analytica Chimica Acta, 468 (2002) 91-103
    IF=2.114
  138. M. Daszykowski, B. Walczak, D.L. Massart, On the optimal partitioning of data with K-means, Growing K-means, Neural Gas and Growing Neural Gas, Journal of Chemical Information and Computer Sciences, 42 (2002) 1378-1389
    IF=2.902
  139. A. Smolinski, B. Walczak, J.W. Einax, Hierarchical clustering extended with visual complements for interpretation of environmental data set, Chemometrics and Intelligent Laboratory Systems, 64 (2002) 45-54
    IF=1.841
  140. F. Questier, Q. Guo, B. Walczak, D.L. Massart, C. Boucon, S. de Jong, The Neural Gas network for classifying analytical data, Chemometrics and Intelligent Laboratory Systems, 61 (2002) 105-121
    IF=1.841
  141. F. Questier, I. Arnaut-Rollier, B. Walczak, D.L. Massart, Application of rough set theory to feature selection for unsupervised clustering, Chemometrics and Intelligent Laboratory Systems, 63 (2002) 155-167
    IF=1.841
  142. F. Questier, B. Walczak, D.L. Massart, Feature selection for hierarchical clustering, Analytica Chimica Acta, 466 (2002) 311-324
    IF=2.114
  143. V. Pravdova, B. Walczak, D.L. Massart, A comparison of two algorithms for warping of analytical signals, Analytica Chimica Acta, 456 (2002) 77-92
    IF=2.114
  144. E. Adams, B. Walczak, C. Vervaet, P.G. Risha, D.L. Massart, PCA of dissolution data with missing values, International Journal of Pharmaceutics, 234 (2002) 169-178
    IF=1.419
  145. A. Smolinski, B. Walczak, Exploratory analysis of chromatographic data sets with missing elements. Initialization of Expectation-Maximization algorithm, Acta Chromatographica, 12 (2002) 30-48 -> get full paper
  146. A. Kuczynska, B. Walczak, Assessment of the homogenity of chromatographic peaks. Part 1. Basic concepts and examples, Acta Chromatographica, 12 (2002) 11-29 -> get full paper
  147. V. Pravdova, C. Boucon, S. de Jong, B. Walczak, D.L. Massart, Three-way principal component analysis applied to food analysis: an example, Analytica Chimica Acta, 462 (2002) 133-148
    IF=2.114
  148. A. Smolinski, B. Walczak, J.W. Einax, Exploratory analysis of data sets with missing elements and outliers, Chemosphere, 49 (2002) 233-245
    IF=1.181
  149. P. Zerzucha, T. Pluta, Electric properties of the C2H2...HCl system, in: Materialy miedzynarodowej Konferencji Studenckich Kol Naukowych "Studencki ruch naukowy - wyzwania XXI wieku" (2002), 21-26.

    2001

  150. M. Daszykowski, B. Walczak, D.L. Massart, Looking for Natural Patterns in Data. Part 1: Density Based Approach, Chemometrics and Intelligent Laboratory Systems, 56 (2001) 83-92
    IF=1.412
  151. V. Pravdova, B. Walczak, D.L. Massart, H. Robberecht, R. Van Cauwenbergh, P. Hendrix, H. Deelstra, Three-way PCA for the visualization of trace elemental patterns in vegetables after different cooking procedures, Journal of Food Composition and Analysis, 14 (2001) 207-225
  152. V. Pravdova, B. Walczak, D.L. Massart, S. Kawano, K. Toyoda, R. Tsenkova, Calibration of somatic cell count in milk based on NIR spectrocsopy, Analytica Chimica Acta, 450 (2001) 131-141
    IF=2.073
  153. V. Pravdova, F. Estienne, B. Walczak, D.L. Massart, Robust version of TUCKER3 model, Chemometrics and Intelligent Laboratory Systems, 59 (2001) 75-88
    IF=1.412
  154. V. Simeonov, P. Barbieri, B. Walczak, D.L. Massart, S. Tsakovski, Environmetric modeling of a potable water data set, Toxicological and Environmental Chemistry, 79 (2001) 55-72
  155. B. Walczak, D.L. Massart, Dealing with missing data. Part 1, Chemometrics and Intelligent Laboratory Systems, 58 (2001) 15-17
    IF=1.412
  156. B. Walczak, D.L. Massart, Dealing with missing data. Part 2, Chemometrics and Intelligent Laboratory Systems, 58 (2001) 29-42
    IF=1.412
  157. C. Perrin, B. Walczak, D.L. Massart, The use of wavelets for signal denoising in capillary electrophoresis, Analytical Chemistry, 73 (2001) 4903-4917
    IF=4.532
  158. F. Estienne, L. Pasti, V. Centner, B. Walczak, F. Despagne, D. Jouan Rimbaud, O.E. de Noord, D.L. Massart, A comparison of multivariate calibration techniques applied to experimental NIR data sets. Part II: predictive ability under extrapolation conditions, Chemometrics and Intelligent Laboratory Systems, 58 (2001) 195-211
    IF=1.412
  159. T. Pluta, P. Zerzucha, Calculation of atomic and molecular highes - order electric properties using compact basis set, Annals of Pol. Chem. Soc., 1, (2001), 253-256

    2000

  160. V. Schoonjans, F. Questier, A. P. Borosy, B. Walczak, D.L. Massart, Use of mass spectrometry for assessing similarity/diversity of natural products with unknown chemical structures, Journal of Pharmaceutical and Biochemical Analysis, 21 (2000) 1197-1214
  161. B. Walczak, D.L. Massart, Local modelling with Radial Basis Functions Networks, Chemometrics and Intelligent Laboratory Systems, 51 (2000) 219-238
  162. V. Centner, J. Verdu-Andres, B. Walczak, D. Joun-Rimbaud, F. Despagne, O. de Nord, A comparison of multivariate calibration techniques applied to experimental NIR data sets, Applied Spectroscopy, 54 (2000) 608-623
  163. J. Polanski, B. Walczak, Comparative molecular surface analysis (COMSA): a novel tool for molecular design, Computers and Chemistry, 24 (2000) 615-625
  164. J. Polanski, B. Walczak, R. Gieleciak, S. jkaszyk, Self-organizing neural networks for modeling 3D QSAR - a comparative study, Acta Poloniae Pharmaceutica - Drug Research, 57 (2000) 76-79
  165. B. Walczak, D.L. Massart, Joint basis and joint best-basis for data sets, in B. Walczak (ed.), Wavelets in Chemistry, Elsevier, Amsterdam 2000
  166. B. Walczak, J.P. Radomski, Wavelet bases for IR library compression, searching and reconstruction, in B. Walczak (ed.), Wavelets in Chemistry, Elsevier, Amsterdam 2000
  167. B. Walczak, D.L. Massart, Calibration in wavelet domain, in B. Walczak (ed.), Wavelets in Chemistry, Elsevier, Amsterdam 2000
  168. 1999

  169. R. De Maesschalck, F. Estienne, J. Verdu-Andres, A. Candolfi, V. Center, F. Despagne, D. Jouan-Rimbaud, B. Walczak, D.L. Massart, S. de Jong, O.E. Noord, C. Puel, B.M.G. Vandeginste, The development of calibration models for spectroscopic data using Principal Component Regression, Internet Journal of Chemistry, 2 (1999) 19
  170. B. Walczak, D.L. Massart, Rought set theory, Chemometrics and Intelligent Laboratory Systems, 47 (1999) 1-16
  171. L. Pasti, B. Walczak, D.L. Massart, P. Reschiglian, Optimization of signal denoising in wavelet transform (DWT), Chemometrics and Intelligent Laboratory Systems, 48 (1999) 21-34
  172. 1998

  173. B. Walczak, Feedback from data, "Feedback from the Data" in: "MultiComponent Reactions & Combinatorial Chemistry" (Proceedings of the German-Polish Workshop, University of Technology, Rzeszow, Poland; editors: Zdzislaw S. Hippe and Ivar K. Ugi); Oficyna Wydawnicza Politechniki Rzeszowskiej, Rzesz??Poland, 1998; pp. 249-266
  174. B. Walczak, D.L. Massart, Multiple outlier detection revisited, Chemometrics and Intelligent Laboratory Systems, 41 (1998) 1-15
  175. F. Despagne, B. Walczak, D.L. Massart, Standardization of near-Infrared spectra using Neural Networks, Applied Spectroscopy, 52 (1998) 732-745
  176. 1997

  177. B. Walczak, Applications of Neural Networks and Neuro-Fuzzy Systems in chemistry, Proceedings of The Third Conference 'Neural Networks and Their Applications', Kule/Czestochwa 14-18.10.1997
  178. B. Walczak, D.L. Massart, Wavelets - something for analytical chemistry?, Trends in Analytical Chemistry, 16 (1997) 451-463
  179. B. Walczak, D.L. Massart, Wavelet packet transform applied to a set of signals: a new approach to the best-basis selection, Chemometrics and Intelligent Laboratory Systems, 38 (1997) 39-50
  180. D. Jouan-Rimbaud, B. Walczak, R. Poppi, O.E. de Noord, D.L. Massart, Application of wavelet transform to extract the relevant component from spectral data for multivariate calibration, Analytical Chemistry, 69 (1997) 4317-4323
  181. S. Inghelbrecht, J.-P. Remon, P.F. de Aguiar, B. Walczak, D.L. Massart, H. Vermeersch, P. De Backer, Instrumentation of a roll compactor and the evaluation of the parameter settings by neural networks, Journal of Pharmaceutical Research, 148 (1997) 103-115
  182. B. Walczak, D.L. Massart, Noise supression and signal compression using wavelet packet transform, Chemometrics and Intelligent Laboratory Systems, 36 (1997) 81-94
  183. B. Walczak, E. Bouvresse, D.L. Massart, Standardization of near-infrared spectra in the wavelet domain, Chemometrics and Intelligent Laboratory Systems, 36 (1997) 41-51
  184. 1996

  185. W. Wu, B. Walczak, W. Penninckx, D.L. Massart, Feature reduction by Fourier transform in pattern recognition of NIR data, Analytica Chimica Acta, 331 (1996) 75-83
  186. B. Walczak, D.L. Massart, Application of Radial Basis Functions - Partial Least Squares to non-linear pattern recognition problems: diagnosis of process faults, Analytica Chimica Acta, 331 (1996) 187-193
  187. B. Walczak, D.L. Massart, The Radial Basis Functions - Partial Least Squares approach as a flexible non-linear regression techniques, Analytica Chimica Acta, 331 (1996) 177-185
  188. W. Wu, Y. Mallet, B. Walczak, W. Penninckx, D. L. Massart, S. Heuerding, F. Erni, Comparison of regularized discriminant analysis, linear discriminant analysis and quadratic discriminant analysis, applied to NIR data, Analytica Chimica Acta, 326 (1996) 257-265
  189. B. Walczak, B. van den Bogaert, D.L. Massart, Application of wavelet packet transform in pattern recognition of NIR data, Analytical Chemistry, 68 (1996) 1742-1747
  190. B. Walczak, Neural networks with robust backpropagation learning algorithm, Analytica Chimica Acta, 322 (1996) 21-29
  191. W. Wu, B. Walczak, D.L. Massart, S. Heuerding, F. Erni, I.R. Last, K.A. Prebble, Artificial neural networks in classification of NIR spectral data: design of the training set, Chemometrics and Intelligent Laboratory Systems, 33 (1996) 35-46
  192. J. Toft, B. Walczak, "Kunstige nevrale nett", in "Anvendelse av kjemometri innen forskning og industri", editors: R. Nortvedt, F. Brakstad, O. M. Kvalheim, T. Lundstedt, Infometrics Publisher, Bergen - Sandviken, 1996; pp. 207-220
  193. 1995

  194. B. Walczak, Outlier detection in bilinear calibration, Chemometrics and Intelligent Laboratory Systems, 29 (1995) 63-73
  195. B. Walczak, Outlier detection in multivariate calibration, Chemometrics and Intelligent Laboratory Systems, 28 (1995) 259-272
  196. W. Wu, B. Walczak, D.L. Massart, K.A. Prebble, I.R. Last, Spectral transformation and wavelength selection in NIR spectra classification, Analytica Chimica Acta, 315 (1995) 243-255
  197. D. Jouan-Rimbaud, B. Walczak, D.L. Massart, I. Last, K. Prebble, Comparison of multivariate methods based on latent vectors and methods based on wavelength selection for the analysis of near-infrared spectroscopic data, Analytica Chimica Acta, 304 (1995) 285-295
  198. B. Walczak, D.L. Massart, Robust principal components regression as a detection tool for outliers, Chemometrics and Intelligent Laboratory Systems, 27 (1995) 41-54
  199. 1994

  200. B. Walczak, W. Wegscheider, Calibration of non-linear analytical systems by a neuro fuzzy approach, Chemometrics and Intelligent Laboratory Systems, 22 (1994) 199-207
  201. B. Walczak, E. Bauer-Wolf, W. Wegscheider, A neuro-fuzzy system for X-ray spectra interpretation, Microchimica Acta, 113 (1994) 153-169
  202. 1993

  203. B. Walczak, W. Wegscheider, Non-linear modeling of chemical data by combinations of linear and neural networks methods, Analytica Chimica Acta, 283 (1993) 508-517
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