Partial least squares-discriminant analysis (PLS-DA) for classification of high-dimensional (HD) data: a review of contemporary practice strategies and knowledge gaps

Loong Chuen Lee, Choong-Yeun Liong and Abdul Aziz Jemain

Analyst, 2018, 143, 3526
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Predictive modelling of colossal ATR-FTIR spectral data using PLS-DA: empirical differences between PLS1-DA and PLS2-DA algorithms

Loong Chuen Lee and Abdul Aziz Jemain

Analyst, 2019, 144, 2670
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The potential role of fatty acids in prostate cancer determined by GC–MS analysis of formalin-fixed paraffin-embedded tissue samples

Magdalena Buszewska-Forajta, Joanna Raczak-Gutknecht, Małgorzata Artymowicz, Wojciech Wesołowski, Kamil Buczkowski, Ewa Iżycka-Świeszewska and Michał J. Markuszewski

Journal of Pharmaceutical and Biomedical Analysis, 2021, 196, 113907
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Nondestructive quality assessment of chili peppers using near-infrared hyperspectral imaging combined with multivariate analysis

Jinlin Jiang, Haiyan Cen, Chu Zhang, Xiaohan Lyu, Haiyong Weng, Haixia Xu and Yong He

Postharvest Biology and Technology, 2018, 146, 147
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Improvement of recyclable plastic waste detection – A novel strategy for the construction of rigorous classifiers based on the hyperspectral images

L. Pieszczek and M. Daszykowski

Chemometrics and Intelligent Laboratory Systems, 2019, 187, 28
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Identification of the metabolic fingerprints in women with polycystic ovary syndrome using the multiplatform metabolomics technique

Magdalena Buszewska-Forajta, Dominik Rachoń, Anna Stefaniak, Renata Wawrzyniak, Aleksandra Konieczna, Agnieszka Kowalewska and Michał Jan Markuszewski

The Journal of Steroid Biochemistry and Molecular Biology, 2019, 186, 176
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The role of chemometrics in improving clinical data analysis and diagnostics

I. Stanimirova, M. Daszykowski and P.K. Hopke

TrAC Trends in Analytical Chemistry, 2024, 173, 117642
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Application of Near-infrared Spectroscopy and Multiple Spectral Algorithms to Explore the Effect of Soil Particle Sizes on Soil Nitrogen Detection

Shupei Xiao and Yong He

Molecules, 2019, 24, 2486
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Monitoring the concentrations of Cd, Cu, Pb, Ni, Cr, Zn, Mn and Fe in cultivated Haplic Luvisol soils using near-infrared reflectance spectroscopy and chemometrics

S. Krzebietke, M. Daszykowski, H. Czarnik-Matusewicz, I. Stanimirova, L. Pieszczek, S. Sienkiewicz and J. Wierzbowska

Talanta, 2023, 251, 123749
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Research on the Effects of Drying Temperature for the Detection of Soil Nitrogen by Near-Infrared Spectroscopy

Ling Zhou, Jiangjun Yao, Honggang Xu, Yahui Zhang and Pengcheng Nie

Molecules, 2023, 28, 6507
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Identification of ground meat species using near-infrared spectroscopy and class modeling techniques – Aspects of optimization and validation using a one-class classification model

L. Pieszczek, H. Czarnik-Matusewicz and M. Daszykowski

Meat Science, 2018, 139, 15
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Rigorous and compliant approaches to one-class classification

Oxana Ye. Rodionova, Paolo Oliveri and Alexey L. Pomerantsev

Chemometrics and Intelligent Laboratory Systems, 2016, 159, 89
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Detecting chemical markers to uncover counterfeit rebated excise duty diesel oil

J. Orzel, B. Krakowska, I. Stanimirova and M. Daszykowski

Talanta, 2019, 204, 229
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Facing Counterfeit Medications in Sexual Medicine. A Systematic Scoping Review on Social Strategies and Technological Solutions

Andrea Sansone, Béatrice Cuzin and Emmanuele A. Jannini

Sexual Medicine, 2021, 9, 100437
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Multiclass Partial Least Squares Discriminant Analysis: Taking New Ways—A Perspective

O. Ye. Rodionova and A. L. Pomerantsev

Journal of Chemometrics, 2025, 39
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A GC–MS untargeted metabolomics approach for the classification of chemical differences in grape juices based on fungal pathogen

Claudia Schueuermann, Christopher C. Steel, John W. Blackman, Andrew C. Clark, Lachlan J. Schwarz, Javier Moraga, Isidro G. Collado and Leigh M. Schmidtke

Food Chemistry, 2019, 270, 375
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Visualization of Moisture Distribution in Stacked Tea Leaves on Process Flow Line Using Hyperspectral Imaging

Yuying Zhang, Binhui Liao, Mostafa Gouda, Xuelun Luo, Xinbei Song, Yihang Guo, Yingjie Qi, Hui Zeng, Chuangchuang Zhou, Yujie Wang, Jingfei Zhang and Xiaoli Li

Foods, 2025, 14, 1551
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Chemometrics and the identification of counterfeit medicines—A review

B. Krakowska, D. Custers, E. Deconinck and M. Daszykowski

Journal of Pharmaceutical and Biomedical Analysis, 2016, 127, 112
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Prediction of human triglyceride concentration based on quantum genetic-partial least squares algorithm and fluorescence spectroscopy

De-kang Le, Wei-hua Zhu, Feng Zhu, Hong-bing Yao, Ying Geng, Chun-mei Tang, Xiang He, Ming-cheng Gui and Lin Zhang

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2021, 251, 119461
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The effective monitoring of eleven crucial parameters that describe the condition of cultivated Haplic Luvisol soils using fourier-transformed near-infrared spectroscopy

M. Daszykowski, S. Krzebietke, H. Czarnik-Matusewicz, I. Stanimirova, L. Pieszczek and P. Zarczynski

Chemometrics and Intelligent Laboratory Systems, 2023, 243, 105000
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Multiclass partial least squares discriminant analysis: Taking the right way—A critical tutorial

Alexey L. Pomerantsev and Oxana Ye. Rodionova

Journal of Chemometrics, 2018, 32
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A QSTR-Based Expert System to Predict Sweetness of Molecules

Cristian Rojas, Roberto Todeschini, Davide Ballabio, Andrea Mauri, Viviana Consonni, Piercosimo Tripaldi and Francesca Grisoni

Front. Chem., 2017, 5
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Recent trends in the use of liquid fuel taggants and their analysis

Joanna Orzel and Michal Daszykowski

TrAC Trends in Analytical Chemistry, 2017, 87, 98
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Rapid Detection of Different Types of Soil Nitrogen Using Near-Infrared Hyperspectral Imaging

Zhuoyi Chen, Shijie Ren, Ruimiao Qin and Pengcheng Nie

Molecules, 2022, 27, 2017
DOI: 10.3390/molecules27062017

Detection of Soil Nitrogen Using Near Infrared Sensors Based on Soil Pretreatment and Algorithms

Pengcheng Nie, Tao Dong, Yong He and Fangfang Qu

Sensors, 2017, 17, 1102
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Research on the Effects of Drying Temperature on Nitrogen Detection of Different Soil Types by Near Infrared Sensors

Pengcheng Nie, Tao Dong, Yong He and Shupei Xiao

Sensors, 2018, 18, 391
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Synergy Effect of Combined Near and Mid-Infrared Fibre Spectroscopy for Diagnostics of Abdominal Cancer

Thaddäus Hocotz, Olga Bibikova, Valeria Belikova, Andrey Bogomolov, Iskander Usenov, Lukasz Pieszczek, Tatiana Sakharova, Olaf Minet, Elena Feliksberger, Viacheslav Artyushenko, Beate Rau and Urszula Zabarylo

Sensors, 2020, 20, 6706
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Hyperspectral Imaging (HSI) Technology for the Non-Destructive Freshness Assessment of Pearl Gentian Grouper under Different Storage Conditions

Zhuoyi Chen, Qingping Wang, Hui Zhang and Pengcheng Nie

Sensors, 2021, 21, 583
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Quantification and Detection of Ground Garlic Adulteration Using Fourier-Transform Near-Infrared Reflectance Spectra

Michal Daszykowski, Michal Kula and Ivana Stanimirova

Foods, 2023, 12, 3377
DOI: 10.3390/foods12183377

Synergistic enhancement of blueberry wine aroma through mixed fermentation with indigenous Hanseniaspora thailandica and Saccharomyces cerevisiae

Yu Wang, Wen-Bo Xia, Lu-Lu Zhao, Chen Bian, Shen-Hui Peng, Shuang Xu, Xin-Yu Wang, Xiu-Bing Lu, Qi Chen, Hai-Wei Zhang, Jun Jiang, Hong-Bing Chen and Xue-Ling Gao

Food Research International, 2026, 229, 118442
DOI: 10.1016/j.foodres.2026.118442