Journal of Chemometrics

Article	Citations
Minimum Spanning Tree‐Based Clustering for Chemical Evaluation of Commercial Nail Polish Samples Using Spectroanalytical Data	20
Data point importance: Information ranking in multivariate data	20
Comprehensive Anomaly Score Rank Based Unsupervised Sample Selection Method	18
Chemometrics: A Vital Implement for Understanding the Water Structures by Near‐Infrared Spectroscopy	18
Detection the internal quality of watermelon seeds based on terahertz imaging technology combined with image smoothing and enhancement algorithm	17
Robust Multivariate Dispersion Charts for Quality Control: Application to Sulfur Dioxide Monitoring	15
Determination of metal contents in aromatic herbs and spices from Algeria: Chemometric approach	15
The difference of model robustness assessment using cross‐validation and bootstrap methods	14
Estimating Maize Canopy Nitrogen and Chlorophyll Content Using CNN‐GRU‐CBAM and Hyperspectral Imagery	14
Issue Information	13
Ensemble classification and regression techniques combined with portable near infrared spectroscopy for facile and rapid detection of water adulteration in bovine raw milk	13
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De Novo Design of HIV‐1 Integrase‐LEDGF/p75 Inhibitors Through Deep Reinforcement Learning and Virtual Screening	12
A novel two‐phase near‐infrared and midinfrared wavelength selection framework for sample classification	12
Detection of talcum powder content in wheat flour by near infrared spectroscopy based on multilevel feature selection	12
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Principal Component Analysis: Standardisation	11
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Alternative weighting schemes for fine‐tuned extended similarity indices	9
Malt quality profile of barley predicted by near‐infrared spectroscopy using partial least squares, Bayesian regression, and artificial neural network models	9
Multimodal Stacked Modeling for Simultaneous Detection of Nutrient Concentrations With Turbidity Correction	9
Optimization total phenolic content and antioxidant activity of Saccocalyx satureioides extracts obtained by ultrasonic‐assisted extraction	8

Multi‐Block Chemometric Approaches to the Unsupervised Spectral Characterization of Geological Samples	8
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Assessment of Conformal Prediction and Standard Normal Distribution for Autonomous Consensus One‐Class Classification	8
Comparison Between Portable and Bench‐Top Near‐Infrared Spectroscopy for Corn Silage Characterization Using Partial Least Square and Support Vector Regression Methods	8
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ATR‐FTIR spectroscopy and chemometric complexity: unfolding the intra‐skeleton variability	8
Ginseng Seed Variety Identification Based on Hyperspectral Imaging Technology and Transfer Learning	8
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3D Fluorescence Spectroscopy Combined With Chemometrics as a Tool for Control of Imprinted Protein Purification From Template Molecules	7
A data‐driven soft sensor based on weighted probabilistic slow feature analysis for nonlinear dynamic chemical processes	7
Chemometrics as a tool for monitoring corrosion degradation of the selected alloys in real conditions	7
Planetary and space science special issue	7
Foreword for Special Issue Devoted to the 14th Winter Symposium on Chemometrics (2024)	7
Benchtop NIR data standardization on handheld spectrometers to identify paracetamol tablets	7
Fast Partition‐Based Cross‐Validation With Centering and Scaling for XTX$$ {\mathbf{X}}^{\mathbf{T}}\mathbf{X} $$ and XTY$$ {\mathbf{X}}^{\mathbf{T}}\mathbf{Y} $$	7
Three‐Way Data Reduction Based on Essential Information	7
Two‐step hybrid modeling for variable selection and estimation: An application to quantitative structure activity relationship study	7
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Spectral Wavelength Selection Method Based on Improved Particle Swarm Optimization Idea and Simulated Annealing Strategy	6
Robust Multiplicative Scatter Correction Using Quantile Regression	6
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Issue Information	6
Chemometrics Study to Understand the Interaction of Starch–Protein Mixtures and Food Texture	6
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
Determination of active ingredients in alcohol‐based gel by spectroscopic techniques and chemometric analysis	6
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Resampling as a Robust Measure of Model Complexity in PARAFAC Models	6
Being Aware of Data Leakage and Cross‐Validation Scaling in Chemometric Model Validation	6
Utilization of ultraviolet‐visible spectrophotometry in conjunction with wrapper method and correlated component regression for nitrite prediction outside the Beer–Lambert domain	6
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Application of an ECAM‐ConvNeXt Model With Multichannel Spectrogram Based on Vis–NIR for Soil Property Prediction	5
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Adaptive soft sensor modeling of chemical processes based on an improved just‐in‐time learning and random mapping partial least squares	5
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A Novel One‐Class Convolutional Autoencoder Combined With Excitation–Emission Matrix Fluorescence Spectroscopy for Authenticity Identification of Food	5
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Heavy metal content prediction based on Random Forest and Sparrow Search Algorithm	5
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A synthetic review of some recent extensions of ComDim	5
Feature Variable Selection for Near‐Infrared Spectroscopy Based on Simulated Annealing Bee Colony Algorithm	5
Issue Information	5
Efficient Wavelength Selection for Limited Near‐Infrared Spectral Data via Genetic Algorithm and Hybrid Regression	5
A reliable algorithm for calculating stoichiometry parameters in the hard modeling of spectrophotometric titration data	5
Characterisation of Position‐Dependant Ripening Dynamics of Nectarines Using Near‐Infrared Spectroscopy and ASCA	5
Cell Culture Media and Raman Spectra Preprocessing Procedures Impact Glucose Chemometrics	5
Origin of the OECD Principles for QSAR Validation and Their Role in Changing the QSAR Paradigm Worldwide: An Historical Overview	4
Quantitative Structure–Activity Relationship Modeling Based on Improving Kernel Ridge Regression	4

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Detection of skin defects in loquats based on grayscale features combined with reflectance, absorbance, and Kubelka–Munk spectra	4
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XAI‐2DCOS: Enhancing Interpretability in Spectral Deep Learning Models Through 2D Correlation Spectroscopy	4
Can One Recover the Underlying Spectral Data Matrix From a Given Borgen Plot?	4
Past, Present and Future of Research in Analytical Figures of Merit	4
Accurate and Rational Collision Cross Section Prediction Using Voxel‐Projected Area and Deep Learning	4
Issue Information	4
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limpca: An R package for the linear modeling of high‐dimensional designed data based on ASCA/APCA family of methods	3
On the Replicability of the Thermodynamic Modeling of Spectroscopic Titration Data in the Nickel(II) En System	3
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Performance enhancement‐based active learning sample selection method	3
Comprehensive multivariate evaluation of the effects on cell phenotypes in multicolor flow cytometry data using ANOVA simultaneous component analysis	3
Issue Information	3
A tutorial on the analysis of multifactorial designs from one or more data sources using AComDim	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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Automatic peak annotation and area estimation of glycan map peaks directly from chromatograms	3
Next‐Gen Crop Monitoring: MTEG‐RTU Algorithm and UAV Synergy for Precise Disease Diagnosis	3
Novel Sexalinear Decomposition Algorithm for Analyzing the Chemical Sexalinear Data Array	3
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Cover Picture	3
Partial least squares regression with multiple domains	3
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A brief note on a new faster covariate's selection (fCovSel) algorithm	3
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Developing Digital Twin Visualizations: A Methodology and Case Study on Chemical Separation Processing	3
An antioxidative potential‐based comparison of different peanut extraction methods, optimized through response surface methodology	3
Influence of a Measurement Procedure and Evaluation of Transflectance Sensing System for Quantifying Sunflower Oil Adulterations in Olive Oil. A Proof of Concept	3
ASER: Adapted squared error relevance for rare cases prediction in imbalanced regression	3
Image‐based characterization of flocculation processes through PLS inspired representation learning in convolutional neural networks	3
Issue Information	3
A dynamic sample augmentation Kriging metamodeling method for industrial residue hydrogenation process	3
Unlocking New Capabilities in the Analysis of GC × GC‐TOFMS Data With Shift‐Invariant Multi‐Linearity	3
Iterative re‐weighted covariates selection for robust feature selection modelling in the presence of outliers (irCovSel)	3
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Expanding the Chemometric Data Analysis Toolbox With Immersive Analytics	3
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
Toward more efficient and effective color quality control for the large‐scale offset printing process	3
Introduction to statistical, algorithmic and theoretical basis of principal components analysis	3
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Infrared Spectroscopy and Machine Learning for Classification of Red Stamp Inks on Questioned Documents	3
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Remembering Prof. Edmund R. Malinowski, 1932–2020 Professor of Chemistry, 1963–1997 Stevens Institute of Technology	2
Comparative study using design experiment to assess an anionic dye degradation in aqueous solution through the application of different advanced oxidation processes	2
Methodologies based on ASCA to elucidate the influence of a subprocess: Vinification as a case of study	2
Roadmap for outlier detection in univariate linear calibration in analytical chemistry: Tutorial review	2
Enhanced Discrimination of Thawed and Nonfrozen Chicken Thighs Using Convex Hull Peeling in Visible Spectral Imaging	2
Spatial–Temporal Deviation Analysis for Multivariate Statistical Process Monitoring	2
Application of ATR‐FTIR Spectrum Combined With Ensemble Learning and Deep Learning for Identification of Amomum tsao‐ko at Different Drying Temperatures	2
lrSVD: An efficient imputation algorithm for incomplete high‐throughput compositional data	2
Evaluation of Annual Storage on Online Released Compounds in Artemisia argyi Smoke With GC‐MS‐Based Untargeted Metabolomics Coupled With Chemometric Meth	2
Issue Information	2
Dedicated to Edmund R. Malinowski. Secondary, model‐based examination of model‐free analysis results: Making the most of soft‐modelling outcomes	2
A Dynamic Iterative Data Cleaning Strategy Based on Model Feedback to Enhance the Prediction Accuracy of Nanocellulose Emulsions	2
Adjusted Pareto Scaling for Multivariate Calibration Models	2
Data fusion of multiple‐information strategy based on Fourier transform near infrared spectroscopy and Fourier‐transform mid infrared for geographical traceability of Wolfiporia	2
Automatic pretreatment and multiblock analysis of flavor release and sensory temporal data simultaneously collected in vivo	2
Nonparametric Threshold Estimation of Autocorrelated Statistics in Multivariate Statistical Process Monitoring	2
On a black hole effect in bilinear curve resolution based on least squares	2
Deep Information Retention Network‐Enabled Data Modeling for Key Quality Indicator Prediction in the Chemical Industry	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
Omega‐3 Marine Fatty Acid Supplementation to Healthy Subjects Interacts With Moderate Physical Activity to Provide a Cardiovascular Healthier Lipoprotein Subclass Profile	2
Assessing Classification Models of Pharmaceuticals With Conformal Prediction	2
SFMD‐X: A New Functional Data Classifier Based on Shrinkage Functional Mahalanobis Distance	2
Noise simulation in classification with the noisemodel R package: Applications analyzing the impact of errors with chemical data	2
Structured discriminative Gaussian graph learning for multimode process monitoring	2
Swiss knife covariates selection: A unified algorithm for covariates selection in single block, multiblock, multiway, multiway multiblock cases including multiple responses	2
Implications of confounding from unmodeled interactions between explanatory variables when using latent variable regression models to make inferences	2
Smart Monitoring Solutions for Real‐Time Water pH Regulation in Aquatic Ecotoxicology	2
Application of chemometrics on Raman spectra from Mars: Recent advances and future perspectives	2
Nondestructive Identification of Paper Based on Relative Formation Time Using Three‐Dimensional Fluorescence Spectroscopy Combined With Supervised Learning	2
Detection storage time of mangoes after mild bruise based on hyperspectral imaging combined with deep learning	2

Special Issue for Celebrating Prof. Ruqin Yu's 90th Birthday	2
In honour of Edmund R. Malinowski	2
Can Angle Measures Be Useful in MCR Analyses?	2
Principal balances of compositional data for regression and classification using partial least squares	2
Detection of Lead Chrome Green in Tea Based on Near‐Infrared Reflectance Spectroscopy	1
A comprehensive tutorial on data‐driven SIMCA: Theory and implementation in web	1
Issue Information	1
Investigation of the Physiological and Post‐training Effects of Ecdysteroid Supplementation by Multivariate Analysis of the Human Serum Metabolome	1
Dynamic Process Fault Detection and Diagnosis Method Based on Factor Analysis: Application on the Three‐Tank System Process	1
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Sparse Twoblock Dimension Reduction: A Versatile Alternative to Sparse PLS2 and CCA	1
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Identifying putative key metabolites from fingerprinting metabolomics for the authentication of rice origin: A case study of Sengcu rice	1
Is Chemometrics the Most Important Advance in Analytical Chemistry Since the 1980s and Partial Least Squares the Jewel in the Crown?	1
An algorithm for robust multiblock partial least squares predictive modelling	1
Getting Insights Into Chromatographic Properties of HILIС and Mixed‐Mode Homemade Stationary Phases Using Principal Component and Cluster Analyses	1
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	1
Permutation Strategies for Inference in ANOVA‐Based Models for Nonorthogonal Designs Including Continuous Covariates	1
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Honoring Professor Tormod Næs—A Pillar of Chemometrics	1
Classification of Horsetails Using Predictive Modelling on NIR Spectra	1
Predictive QSAR Models Followed by Toxicity, Molecular Docking, and Molecular Dynamics Simulation in Search of Azole Derivatives as AChE Inhibitors for the Treatment of Alzheimer's Disease	1
Selection of principal variables through a modified Gram–Schmidt process with and without supervision	1
Principal components analysis with several objects and variables	1
Kernel‐Based Bootstrap Synthetic Data to Estimate Measurement Uncertainty in Analytical Sciences	1
Correction to “Transforming Hyperspectral Images Into Chemical Maps: A Novel End‐to‐End Deep Learning Approach”	1
Issue Information	1
Feasibility Study on Identifying Seed Variety of Soybean With Hyperspectral Imaging and Deep Learning	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
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
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Prediction of Flash Point of Materials Using Bayesian Kernel Machine Regression Based on Gaussian Processes With LASSO‐Like Spike‐and‐Slab Hyperprior	1
Editorial	1
Chemical identification of microfossils from the 1.88‐Ga Gunflint chert: Towards empirical biosignatures using laser ablation ionization mass spectrometer	1
Enhancing Similarity Measures for Binary Data in Clustering: The Role of Rare Events and Matching Absences	1
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Liu regression after random forest for prediction and modeling in high dimension	1
Expanding Multivariate Analysis Principles in Conventional Chemometric Processes	1
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Novelty and Similarity: Detection Using Data‐Driven Soft Independent Modeling of Class Analogy	1
Generating realistic infrared spectra using artificial neural networks	1
An adaptive strategy for time‐varying batch process fault prediction based on stochastic configuration network	1
Online Simultaneous Determination of Astragalus Polysaccharides and Calycosin‐7‐O‐β‐D‐Glucoside in Astragali Radix Percolate Based on Near‐Infrared Spectroscopy Technology	1
Artificial intelligence‐based multiobjective optimization of reverse osmosis desalination pretreatment using a hybrid ZnO‐immobilized/photo‐Fenton process	1
The canonical partial least squares approach to analysing multiway datasets—N‐CPLS	1
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Progress of Complex System Process Analysis Based on Modern Spectroscopy Combined With Chemometrics	1
Adaptive deep fusion neural network based soft sensor for industrial process	1
Industrial Process Fault Detection Based on IGA‐Combinatorial Model Decision Mechanism	1
Application of ultramicrotomy and infrared imaging to the forensic examination of automotive paint	1
Research progress on the application of hyperspectral imaging techniques in tea science	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
Combining computer vision and deep learning to classify varieties of Prunus dulcis for the nursery	1
Detection of the storage time of light bruises in yellow peaches based on spectrum and texture features of hyperspectral image	1
Nondestructive Identification of Wheat Seed Variety and Geographical Origin Using Near‐Infrared Hyperspectral Imagery and Deep Learning	1
Evaluation of spectral collection strategies for identification of Dalbergia spp. using handheld laser‐induced breakdown spectroscopy	1
On the complementary nature of ANOVA simultaneous component analysis (ASCA+) and Tucker3 tensor decompositions on designed multi‐way datasets	1
Preface	1