Journal of Chemometrics

Article	Citations
Minimum Spanning Tree‐Based Clustering for Chemical Evaluation of Commercial Nail Polish Samples Using Spectroanalytical Data	19
Data point importance: Information ranking in multivariate data	18
Chemometrics: A Vital Implement for Understanding the Water Structures by Near‐Infrared Spectroscopy	17
Detection the internal quality of watermelon seeds based on terahertz imaging technology combined with image smoothing and enhancement algorithm	17
Issue Information	15
Determination of metal contents in aromatic herbs and spices from Algeria: Chemometric approach	15
Comprehensive Anomaly Score Rank Based Unsupervised Sample Selection Method	14
Robust Multivariate Dispersion Charts for Quality Control: Application to Sulfur Dioxide Monitoring	14
The difference of model robustness assessment using cross‐validation and bootstrap methods	13
A novel two‐phase near‐infrared and midinfrared wavelength selection framework for sample classification	12
De Novo Design of HIV‐1 Integrase‐LEDGF/p75 Inhibitors Through Deep Reinforcement Learning and Virtual Screening	12
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Ensemble classification and regression techniques combined with portable near infrared spectroscopy for facile and rapid detection of water adulteration in bovine raw milk	12
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Detection of talcum powder content in wheat flour by near infrared spectroscopy based on multilevel feature selection	11
Principal Component Analysis: Standardisation	11
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Comparison Between Portable and Bench‐Top Near‐Infrared Spectroscopy for Corn Silage Characterization Using Partial Least Square and Support Vector Regression Methods	10
Multimodal Stacked Modeling for Simultaneous Detection of Nutrient Concentrations With Turbidity Correction	9
Issue Information	9
Optimization total phenolic content and antioxidant activity of Saccocalyx satureioides extracts obtained by ultrasonic‐assisted extraction	9
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Ginseng Seed Variety Identification Based on Hyperspectral Imaging Technology and Transfer Learning	8
Assessment of Conformal Prediction and Standard Normal Distribution for Autonomous Consensus One‐Class Classification	8
ATR‐FTIR spectroscopy and chemometric complexity: unfolding the intra‐skeleton variability	8

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Multi‐Block Chemometric Approaches to the Unsupervised Spectral Characterization of Geological Samples	8
Alternative weighting schemes for fine‐tuned extended similarity indices	8
Malt quality profile of barley predicted by near‐infrared spectroscopy using partial least squares, Bayesian regression, and artificial neural network models	8
Three‐Way Data Reduction Based on Essential Information	8
Issue Information	7
3D Fluorescence Spectroscopy Combined With Chemometrics as a Tool for Control of Imprinted Protein Purification From Template Molecules	7
Chemometrics as a tool for monitoring corrosion degradation of the selected alloys in real conditions	7
Utilization of ultraviolet‐visible spectrophotometry in conjunction with wrapper method and correlated component regression for nitrite prediction outside the Beer–Lambert domain	7
Spectral Wavelength Selection Method Based on Improved Particle Swarm Optimization Idea and Simulated Annealing Strategy	7
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Benchtop NIR data standardization on handheld spectrometers to identify paracetamol tablets	7
Two‐step hybrid modeling for variable selection and estimation: An application to quantitative structure activity relationship study	7
A data‐driven soft sensor based on weighted probabilistic slow feature analysis for nonlinear dynamic chemical processes	7
Being Aware of Data Leakage and Cross‐Validation Scaling in Chemometric Model Validation	6
Foreword for Special Issue Devoted to the 14th Winter Symposium on Chemometrics (2024)	6
Planetary and space science special issue	6
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Determination of active ingredients in alcohol‐based gel by spectroscopic techniques and chemometric analysis	6
Fast Partition‐Based Cross‐Validation With Centering and Scaling for XTX$$ {\mathbf{X}}^{\mathbf{T}}\mathbf{X} $$ and XTY$$ {\mathbf{X}}^{\mathbf{T}}\mathbf{Y} $$	6
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Green and Rapid Quantification of Ciprofloxacin Hydrochloride and Tylosin Tartrate in Veterinary Formulation using UV Spectrophotometric Method: A Comparative Study of Nature‐Inspired Algorithms for F	6
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Robust Multiplicative Scatter Correction Using Quantile Regression	6
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Chemometrics Study to Understand the Interaction of Starch–Protein Mixtures and Food Texture	5
Cell Culture Media and Raman Spectra Preprocessing Procedures Impact Glucose Chemometrics	5
Efficient Wavelength Selection for Limited Near‐Infrared Spectral Data via Genetic Algorithm and Hybrid Regression	5
Issue Information	5
Resampling as a Robust Measure of Model Complexity in PARAFAC Models	5
Characterisation of Position‐Dependant Ripening Dynamics of Nectarines Using Near‐Infrared Spectroscopy and ASCA	5
A reliable algorithm for calculating stoichiometry parameters in the hard modeling of spectrophotometric titration data	5
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Heavy metal content prediction based on Random Forest and Sparrow Search Algorithm	5
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Feature Variable Selection for Near‐Infrared Spectroscopy Based on Simulated Annealing Bee Colony Algorithm	4
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Quantitative Structure–Activity Relationship Modeling Based on Improving Kernel Ridge Regression	4
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A Novel One‐Class Convolutional Autoencoder Combined With Excitation–Emission Matrix Fluorescence Spectroscopy for Authenticity Identification of Food	4
Data‐analysis method for material optimization by forecasting long‐term chemical stability	4
Past, Present and Future of Research in Analytical Figures of Merit	4
Who is winning? A comparison of humans versus computers for calibration model building	4
Decomposition of overlapping peaks in X‐ray fluorescence using improved crow searching algorithm based on opposite learning	4

Adaptive soft sensor modeling of chemical processes based on an improved just‐in‐time learning and random mapping partial least squares	4
Origin of the OECD Principles for QSAR Validation and Their Role in Changing the QSAR Paradigm Worldwide: An Historical Overview	4
Issue Information	4
Can One Recover the Underlying Spectral Data Matrix From a Given Borgen Plot?	4
Detection of skin defects in loquats based on grayscale features combined with reflectance, absorbance, and Kubelka–Munk spectra	4
A synthetic review of some recent extensions of ComDim	4
Introduction to statistical, algorithmic and theoretical basis of principal components analysis	3
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Accurate and Rational Collision Cross Section Prediction Using Voxel‐Projected Area and Deep Learning	3
Expanding the Chemometric Data Analysis Toolbox With Immersive Analytics	3
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An antioxidative potential‐based comparison of different peanut extraction methods, optimized through response surface methodology	3
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Optimized extraction of Pb (II) and Co (II) with glycolamide mono and di‐ionic liquids using response surface methodology	3
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Sample selection method using near‐infrared spectral information entropy as similarity criterion for constructing and updating peach firmness and soluble solids content prediction models	3
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Iterative re‐weighted covariates selection for robust feature selection modelling in the presence of outliers (irCovSel)	3
A dynamic sample augmentation Kriging metamodeling method for industrial residue hydrogenation process	3
Toward more efficient and effective color quality control for the large‐scale offset printing process	3
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Partial least squares regression with multiple domains	3
A brief note on a new faster covariate's selection (fCovSel) algorithm	3
Experimental design optimization and isotherm modeling for removal of copper(II) by calcium‐terephthalate MOF synthesized from recycled PET waste	3
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XAI‐2DCOS: Enhancing Interpretability in Spectral Deep Learning Models Through 2D Correlation Spectroscopy	3
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Unlocking New Capabilities in the Analysis of GC × GC‐TOFMS Data With Shift‐Invariant Multi‐Linearity	3
Performance enhancement‐based active learning sample selection method	3
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A tutorial on the analysis of multifactorial designs from one or more data sources using AComDim	3
On the Replicability of the Thermodynamic Modeling of Spectroscopic Titration Data in the Nickel(II) En System	3
Spatial–Temporal Deviation Analysis for Multivariate Statistical Process Monitoring	2
Implications of confounding from unmodeled interactions between explanatory variables when using latent variable regression models to make inferences	2
Infrared Spectroscopy and Machine Learning for Classification of Red Stamp Inks on Questioned Documents	2
Image‐based characterization of flocculation processes through PLS inspired representation learning in convolutional neural networks	2
Application of chemometrics on Raman spectra from Mars: Recent advances and future perspectives	2
Comprehensive multivariate evaluation of the effects on cell phenotypes in multicolor flow cytometry data using ANOVA simultaneous component analysis	2
Application of ATR‐FTIR Spectrum Combined With Ensemble Learning and Deep Learning for Identification of Amomum tsao‐ko at Different Drying Temperatures	2
Methodologies based on ASCA to elucidate the influence of a subprocess: Vinification as a case of study	2
Structured discriminative Gaussian graph learning for multimode process monitoring	2
Omega‐3 Marine Fatty Acid Supplementation to Healthy Subjects Interacts With Moderate Physical Activity to Provide a Cardiovascular Healthier Lipoprotein Subclass Profile	2
Comparative study using design experiment to assess an anionic dye degradation in aqueous solution through the application of different advanced oxidation processes	2
Deep Information Retention Network‐Enabled Data Modeling for Key Quality Indicator Prediction in the Chemical Industry	2
Remembering Prof. Edmund R. Malinowski, 1932–2020 Professor of Chemistry, 1963–1997 Stevens Institute of Technology	2
Next‐Gen Crop Monitoring: MTEG‐RTU Algorithm and UAV Synergy for Precise Disease Diagnosis	2
Detection storage time of mangoes after mild bruise based on hyperspectral imaging combined with deep learning	2
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ASER: Adapted squared error relevance for rare cases prediction in imbalanced regression	2
limpca: An R package for the linear modeling of high‐dimensional designed data based on ASCA/APCA family of methods	2
Nonparametric Threshold Estimation of Autocorrelated Statistics in Multivariate Statistical Process Monitoring	2
Enhanced Discrimination of Thawed and Nonfrozen Chicken Thighs Using Convex Hull Peeling in Visible Spectral Imaging	2
A novel eco‐friendly methods for simultaneous determination of aspirin, clopidogrel, and atorvastatin or rosuvastatin in their fixed‐dose combination using chemometric techniques and artificial neural	2
Two new methods for the estimation and interpretation of the range of feasible profiles in multivariate curve resolution and their implications to analytical chemistry	2
lrSVD: An efficient imputation algorithm for incomplete high‐throughput compositional data	2
Nondestructive Identification of Paper Based on Relative Formation Time Using Three‐Dimensional Fluorescence Spectroscopy Combined With Supervised Learning	2
Issue Information	2
A chemometrician's guide to transfer learning	2
Influence of a Measurement Procedure and Evaluation of Transflectance Sensing System for Quantifying Sunflower Oil Adulterations in Olive Oil. A Proof of Concept	2
Smart Monitoring Solutions for Real‐Time Water pH Regulation in Aquatic Ecotoxicology	2
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Automatic peak annotation and area estimation of glycan map peaks directly from chromatograms	2
Novel Sexalinear Decomposition Algorithm for Analyzing the Chemical Sexalinear Data Array	2
Swiss knife covariates selection: A unified algorithm for covariates selection in single block, multiblock, multiway, multiway multiblock cases including multiple responses	2
Adjusted Pareto Scaling for Multivariate Calibration Models	2
Roadmap for outlier detection in univariate linear calibration in analytical chemistry: Tutorial review	2
A Dynamic Iterative Data Cleaning Strategy Based on Model Feedback to Enhance the Prediction Accuracy of Nanocellulose Emulsions	2
On a black hole effect in bilinear curve resolution based on least squares	2
Automatic pretreatment and multiblock analysis of flavor release and sensory temporal data simultaneously collected in vivo	2
SFMD‐X: A New Functional Data Classifier Based on Shrinkage Functional Mahalanobis Distance	1
Application of ultramicrotomy and infrared imaging to the forensic examination of automotive paint	1
Sparse Twoblock Dimension Reduction: A Versatile Alternative to Sparse PLS2 and CCA	1
Classification of Horsetails Using Predictive Modelling on NIR Spectra	1
ResNet models for rapid identification of species and geographical origin of wild boletes from Yunnan, and MaxEnt model for delineation of potential distribution	1

Issue Information	1
Cover Picture	1
Correction to “A novel eco‐friendly methods for simultaneous determination of aspirin, clopidogrel, and atorvastatin or rosuvastatin in their fixed‐dose combination using chemometric techniques and ar	1
Liu regression after random forest for prediction and modeling in high dimension	1
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On properties of EFA plots	1
Research progress on the application of hyperspectral imaging techniques in tea science	1
Feasibility Study on Identifying Seed Variety of Soybean With Hyperspectral Imaging and Deep Learning	1
An algorithm for robust multiblock partial least squares predictive modelling	1
Dynamic Process Fault Detection and Diagnosis Method Based on Factor Analysis: Application on the Three‐Tank System Process	1
Evaluation of Annual Storage on Online Released Compounds in Artemisia argyi Smoke With GC‐MS‐Based Untargeted Metabolomics Coupled With Chemometric Method of AntDAS‐GCMS	1
Detection of the storage time of light bruises in yellow peaches based on spectrum and texture features of hyperspectral image	1
Dedicated to Edmund R. Malinowski. Secondary, model‐based examination of model‐free analysis results: Making the most of soft‐modelling outcomes	1
Permutation Strategies for Inference in ANOVA‐Based Models for Nonorthogonal Designs Including Continuous Covariates	1
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A comprehensive tutorial on data‐driven SIMCA: Theory and implementation in web	1
Special Issue for Celebrating Prof. Ruqin Yu's 90th Birthday	1
Preface	1
Artificial intelligence‐based multiobjective optimization of reverse osmosis desalination pretreatment using a hybrid ZnO‐immobilized/photo‐Fenton process	1
Getting Insights Into Chromatographic Properties of HILIС and Mixed‐Mode Homemade Stationary Phases Using Principal Component and Cluster Analyses	1
Adaptive deep fusion neural network based soft sensor for industrial process	1
Prediction of Flash Point of Materials Using Bayesian Kernel Machine Regression Based on Gaussian Processes With LASSO‐Like Spike‐and‐Slab Hyperprior	1
Correction to “Transforming Hyperspectral Images Into Chemical Maps: A Novel End‐to‐End Deep Learning Approach”	1
Nondestructive Identification of Wheat Seed Variety and Geographical Origin Using Near‐Infrared Hyperspectral Imagery and Deep Learning	1
Issue Information	1
Selection of principal variables through a modified Gram–Schmidt process with and without supervision	1
Detection of Lead Chrome Green in Tea Based on Near‐Infrared Reflectance Spectroscopy	1
Modeling and optimization of malondialdehyde (MDA) absorbance behavior through response surface methodology (RSM) and artificial intelligence network (AIN): An endeavor to estimate lipid peroxidation	1
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Data fusion of multiple‐information strategy based on Fourier transform near infrared spectroscopy and Fourier‐transform mid infrared for geographical traceability of Wolfiporia cocos combined	1
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Principal balances of compositional data for regression and classification using partial least squares	1
On the complementary nature of ANOVA simultaneous component analysis (ASCA+) and Tucker3 tensor decompositions on designed multi‐way datasets	1
Combining computer vision and deep learning to classify varieties of Prunus dulcis for the nursery plant industry	1
Noise simulation in classification with the noisemodel R package: Applications analyzing the impact of errors with chemical data	1
Issue Information	1
Kernel‐Based Bootstrap Synthetic Data to Estimate Measurement Uncertainty in Analytical Sciences	1
Novelty and Similarity: Detection Using Data‐Driven Soft Independent Modeling of Class Analogy	1
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Honoring Professor Tormod Næs—A Pillar of Chemometrics	1
An adaptive strategy for time‐varying batch process fault prediction based on stochastic configuration network	1
Identifying putative key metabolites from fingerprinting metabolomics for the authentication of rice origin: A case study of Sengcu rice	1
Evaluation of spectral collection strategies for identification of Dalbergia spp. using handheld laser‐induced breakdown spectroscopy	1
Industrial Process Fault Detection Based on IGA‐Combinatorial Model Decision Mechanism	1
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Chemical identification of microfossils from the 1.88‐Ga Gunflint chert: Towards empirical biosignatures using laser ablation ionization mass spectrometer	1
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Can Angle Measures Be Useful in MCR Analyses?	1
Progress of Complex System Process Analysis Based on Modern Spectroscopy Combined With Chemometrics	1
In honour of Edmund R. Malinowski	1
Enhancing Similarity Measures for Binary Data in Clustering: The Role of Rare Events and Matching Absences	1
Assessing Classification Models of Pharmaceuticals With Conformal Prediction	1