Journal of Chemometrics

Article	Citations
Chemometrics: A Vital Implement for Understanding the Water Structures by Near‐Infrared Spectroscopy	30
Partial Least Squares Scores	29
Comprehensive Anomaly Score Rank Based Unsupervised Sample Selection Method	22
Data point importance: Information ranking in multivariate data	19
Determination of metal contents in aromatic herbs and spices from Algeria: Chemometric approach	18
Minimum Spanning Tree‐Based Clustering for Chemical Evaluation of Commercial Nail Polish Samples Using Spectroanalytical Data	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	17
From Wet Chemistry to Portable NIR: Robust High‐Throughput Compositional Models for Biomass Pretreatment	16
The difference of model robustness assessment using cross‐validation and bootstrap methods	15
Estimating Maize Canopy Nitrogen and Chlorophyll Content Using CNN‐GRU‐CBAM and Hyperspectral Imagery	15
De Novo Design of HIV‐1 Integrase‐LEDGF/p75 Inhibitors Through Deep Reinforcement Learning and Virtual Screening	14
A novel two‐phase near‐infrared and midinfrared wavelength selection framework for sample classification	13
Augmenting Near‐Infrared Spectral Data With Auxiliary Regression Generative Adversarial Network for Enhanced Prediction of Watermelon Soluble Solids Content	13
In‐Situ Detection of Microplastic Particles on Food Using Hyperspectral Imaging With One‐Dimensional Convolutional Neural Network and Artificial Neural Network	13
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Principal Component Analysis: Standardisation	10
Alternative weighting schemes for fine‐tuned extended similarity indices	10
Detection of talcum powder content in wheat flour by near infrared spectroscopy based on multilevel feature selection	10
Assessment of Conformal Prediction and Standard Normal Distribution for Autonomous Consensus One‐Class Classification	9
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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	9

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Ginseng Seed Variety Identification Based on Hyperspectral Imaging Technology and Transfer Learning	9
Malt quality profile of barley predicted by near‐infrared spectroscopy using partial least squares, Bayesian regression, and artificial neural network models	9
Multi‐Block Chemometric Approaches to the Unsupervised Spectral Characterization of Geological Samples	9
Characterising the Effect of Cultivar and Roasting Temperature on FT‐NIR Spectral Data of Wheat Using ASCA	8
Multimodal Stacked Modeling for Simultaneous Detection of Nutrient Concentrations With Turbidity Correction	8
Robust Multiplicative Scatter Correction Using Quantile Regression	8
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Optimization total phenolic content and antioxidant activity of Saccocalyx satureioides extracts obtained by ultrasonic‐assisted extraction	8
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Foreword for Special Issue Devoted to the 14th Winter Symposium on Chemometrics (2024)	8
ATR‐FTIR spectroscopy and chemometric complexity: unfolding the intra‐skeleton variability	8
Correlation‐Weighted Dynamic Feature Fusion for Multiblock Regression (CW‐DFF‐MBR): A Generalized Framework for Advanced Chemometric Modelling	8
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	8
Planetary and space science special issue	8
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
Why Is the Peak Group Analysis So Effective for IR Spectra Analysis?	7
Application of an ECAM‐ConvNeXt Model With Multichannel Spectrogram Based on Vis–NIR for Soil Property Prediction	7
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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
Chemometrics as a tool for monitoring corrosion degradation of the selected alloys in real conditions	7
Being Aware of Data Leakage and Cross‐Validation Scaling in Chemometric Model Validation	7
Two‐step hybrid modeling for variable selection and estimation: An application to quantitative structure activity relationship study	7
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Three‐Way Data Reduction Based on Essential Information	7
Spectral Wavelength Selection Method Based on Improved Particle Swarm Optimization Idea and Simulated Annealing Strategy	7
Utilization of ultraviolet‐visible spectrophotometry in conjunction with wrapper method and correlated component regression for nitrite prediction outside the Beer–Lambert domain	7
Chemometrics Study to Understand the Interaction of Starch–Protein Mixtures and Food Texture	6
Resampling as a Robust Measure of Model Complexity in PARAFAC Models	6
Heavy metal content prediction based on Random Forest and Sparrow Search Algorithm	6
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Efficient Wavelength Selection for Limited Near‐Infrared Spectral Data via Genetic Algorithm and Hybrid Regression	6
XR and Hybrid Data Visualization Spaces for Enhanced Data Analytics	6
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Determination of active ingredients in alcohol‐based gel by spectroscopic techniques and chemometric analysis	6
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Detection of skin defects in loquats based on grayscale features combined with reflectance, absorbance, and Kubelka–Munk spectra	5
A reliable algorithm for calculating stoichiometry parameters in the hard modeling of spectrophotometric titration data	5
A synthetic review of some recent extensions of ComDim	5
Origin of the OECD Principles for QSAR Validation and Their Role in Changing the QSAR Paradigm Worldwide: An Historical Overview	5
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Cell Culture Media and Raman Spectra Preprocessing Procedures Impact Glucose Chemometrics	5

A Novel One‐Class Convolutional Autoencoder Combined With Excitation–Emission Matrix Fluorescence Spectroscopy for Authenticity Identification of Food	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
Feature Variable Selection for Near‐Infrared Spectroscopy Based on Simulated Annealing Bee Colony Algorithm	5
Support Vector Machine Ensemble for Crude Oil Classification	5
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Characterisation of Position‐Dependant Ripening Dynamics of Nectarines Using Near‐Infrared Spectroscopy and ASCA	5
Can One Recover the Underlying Spectral Data Matrix From a Given Borgen Plot?	4
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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	4
Accurate and Rational Collision Cross Section Prediction Using Voxel‐Projected Area and Deep Learning	4
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Quantitative Structure–Activity Relationship Modeling Based on Improving Kernel Ridge Regression	4
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Introduction to statistical, algorithmic and theoretical basis of principal components analysis	4
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Multifactorial 1, 3, 4‐Oxadiazole Derivatives as Cholinesterase and Glycogen Synthase Kinase‐3 β Inhibitors for Targeting Alzheimer's Disease: QSAR‐Based	4
Past, Present and Future of Research in Analytical Figures of Merit	4
XAI‐2DCOS: Enhancing Interpretability in Spectral Deep Learning Models Through 2D Correlation Spectroscopy	4
Extended Multiplicative Signal Correction of Noisy Raman Spectra	4
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An antioxidative potential‐based comparison of different peanut extraction methods, optimized through response surface methodology	3
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Expanding the Chemometric Data Analysis Toolbox With Immersive Analytics	3
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Application of chemometrics on Raman spectra from Mars: Recent advances and future perspectives	3
Smart Monitoring Solutions for Real‐Time Water pH Regulation in Aquatic Ecotoxicology	3
On a black hole effect in bilinear curve resolution based on least squares	3
Developing Digital Twin Visualizations: A Methodology and Case Study on Chemical Separation Processing	3
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Unlocking New Capabilities in the Analysis of GC × GC‐TOFMS Data With Shift‐Invariant Multi‐Linearity	3
Toward more efficient and effective color quality control for the large‐scale offset printing process	3
On the Replicability of the Thermodynamic Modeling of Spectroscopic Titration Data in the Nickel(II) En System	3
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Supporting Process Analytical Technology in Pharmaceutical Manufacturing With Lean Chemometrics	3
Image‐based characterization of flocculation processes through PLS inspired representation learning in convolutional neural networks	3
Iterative re‐weighted covariates selection for robust feature selection modelling in the presence of outliers (irCovSel)	3
Novel Sexalinear Decomposition Algorithm for Analyzing the Chemical Sexalinear Data Array	3
Next‐Gen Crop Monitoring: MTEG‐RTU Algorithm and UAV Synergy for Precise Disease Diagnosis	3
Comprehensive multivariate evaluation of the effects on cell phenotypes in multicolor flow cytometry data using ANOVA simultaneous component analysis	3
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Partial least squares regression with multiple domains	3
Volatile Gas Detection Based on Electronic Nose Combined With a Feature Complementary Calculation Network to Identify the Adulterated Peanuts	3
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Automatic peak annotation and area estimation of glycan map peaks directly from chromatograms	3
ASER: Adapted squared error relevance for rare cases prediction in imbalanced regression	3
Deep Information Retention Network‐Enabled Data Modeling for Key Quality Indicator Prediction in the Chemical Industry	3
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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
Enhanced Discrimination of Thawed and Nonfrozen Chicken Thighs Using Convex Hull Peeling in Visible Spectral Imaging	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
Spatial–Temporal Deviation Analysis for Multivariate Statistical Process Monitoring	2
Remembering Prof. Edmund R. Malinowski, 1932–2020 Professor of Chemistry, 1963–1997 Stevens Institute of Technology	2
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Research progress on the application of hyperspectral imaging techniques in tea science	2
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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
Identifying putative key metabolites from fingerprinting metabolomics for the authentication of rice origin: A case study of Sengcu rice	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
Modeling and optimization of malondialdehyde (MDA) absorbance behavior through response surface methodology (RSM) and artificial intelligence network (AIN): An endeavor to estimate lipid peroxidation	2
Adjusted Pareto Scaling for Multivariate Calibration Models	2
Can Angle Measures Be Useful in MCR Analyses?	2
Application of ATR‐FTIR Spectrum Combined With Ensemble Learning and Deep Learning for Identification of Amomum tsao‐ko at Different Drying Temperatures	2
Implications of confounding from unmodeled interactions between explanatory variables when using latent variable regression models to make inferences	2
In honour of Edmund R. Malinowski	2
Nonparametric Threshold Estimation of Autocorrelated Statistics in Multivariate Statistical Process Monitoring	2
In Silico Discovery of 1,3,4‐Thiadiazole Derivatives as VEGFR‐2 Inhibitors for Breast Cancer Liver Metastasis via QSAR modeling, Molecular Docking, ADMET, and DFT Studies	2
Swiss knife covariates selection: A unified algorithm for covariates selection in single block, multiblock, multiway, multiway multiblock cases including multiple responses	2
A Dynamic Iterative Data Cleaning Strategy Based on Model Feedback to Enhance the Prediction Accuracy of Nanocellulose Emulsions	2
SFMD‐X: A New Functional Data Classifier Based on Shrinkage Functional Mahalanobis Distance	2

An algorithm for robust multiblock partial least squares predictive modelling	2
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	2
Noise simulation in classification with the noisemodel R package: Applications analyzing the impact of errors with chemical data	2
Principal balances of compositional data for regression and classification using partial least squares	2
Roadmap for outlier detection in univariate linear calibration in analytical chemistry: Tutorial review	2
Evaluation of Annual Storage on Online Released Compounds in Artemisia argyi Smoke With GC‐MS‐Based Untargeted Metabolomics Coupled With Chemometric Meth	2
Optimizing Distance‐Based Classification in Hyperspectral Imaging: a Tutorial on the Influence of Spectral Pretreatments	2
Dedicated to Edmund R. Malinowski. Secondary, model‐based examination of model‐free analysis results: Making the most of soft‐modelling outcomes	2
Infrared Spectroscopy and Machine Learning for Classification of Red Stamp Inks on Questioned Documents	2
Methodologies based on ASCA to elucidate the influence of a subprocess: Vinification as a case of study	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
lrSVD: An efficient imputation algorithm for incomplete high‐throughput compositional data	2
Comparative study using design experiment to assess an anionic dye degradation in aqueous solution through the application of different advanced oxidation processes	2
Nondestructive Identification of Paper Based on Relative Formation Time Using Three‐Dimensional Fluorescence Spectroscopy Combined With Supervised Learning	2
Adaptive deep fusion neural network based soft sensor for industrial process	2
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Chemical identification of microfossils from the 1.88‐Ga Gunflint chert: Towards empirical biosignatures using laser ablation ionization mass spectrometer	2
Assessing Classification Models of Pharmaceuticals With Conformal Prediction	2
Detection storage time of mangoes after mild bruise based on hyperspectral imaging combined with deep learning	2
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Structured discriminative Gaussian graph learning for multimode process monitoring	2
Special Issue for Celebrating Prof. Ruqin Yu's 90th Birthday	2
Omega‐3 Marine Fatty Acid Supplementation to Healthy Subjects Interacts With Moderate Physical Activity to Provide a Cardiovascular Healthier Lipoprotein Subclass Profile	2
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Detection of the storage time of light bruises in yellow peaches based on spectrum and texture features of hyperspectral image	1
Honoring Professor Tormod Næs—A Pillar of Chemometrics	1
Correction to “Transforming Hyperspectral Images Into Chemical Maps: A Novel End‐to‐End Deep Learning Approach”	1
Feasibility Study on Identifying Seed Variety of Soybean With Hyperspectral Imaging and Deep Learning	1
Novelty and Similarity: Detection Using Data‐Driven Soft Independent Modeling of Class Analogy	1
An adaptive strategy for time‐varying batch process fault prediction based on stochastic configuration network	1
Nondestructive Identification of Wheat Seed Variety and Geographical Origin Using Near‐Infrared Hyperspectral Imagery and Deep Learning	1
Detection of Lead Chrome Green in Tea Based on Near‐Infrared Reflectance Spectroscopy	1
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Application of ultramicrotomy and infrared imaging to the forensic examination of automotive paint	1
Editorial	1
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ResNet models for rapid identification of species and geographical origin of wild boletes from Yunnan, and MaxEnt model for delineation of potential distribution	1
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Getting Insights Into Chromatographic Properties of HILIС and Mixed‐Mode Homemade Stationary Phases Using Principal Component and Cluster Analyses	1
Evaluation of spectral collection strategies for identification of Dalbergia spp. using handheld laser‐induced breakdown spectroscopy	1
Classification of Horsetails Using Predictive Modelling on NIR Spectra	1
Progress of Complex System Process Analysis Based on Modern Spectroscopy Combined With Chemometrics	1
Artificial intelligence‐based multiobjective optimization of reverse osmosis desalination pretreatment using a hybrid ZnO‐immobilized/photo‐Fenton process	1
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Industrial Process Fault Detection Based on IGA‐Combinatorial Model Decision Mechanism	1
On the complementary nature of ANOVA simultaneous component analysis (ASCA+) and Tucker3 tensor decompositions on designed multi‐way datasets	1
Expanding Multivariate Analysis Principles in Conventional Chemometric Processes	1
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Investigation of the Physiological and Post‐training Effects of Ecdysteroid Supplementation by Multivariate Analysis of the Human Serum Metabolome	1
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Dynamic Process Fault Detection and Diagnosis Method Based on Factor Analysis: Application on the Three‐Tank System Process	1
A Perspective on Using Immersive Analytics With Virtual Reality for One‐Class Classification Decisions	1
Permutation Strategies for Inference in ANOVA‐Based Models for Nonorthogonal Designs Including Continuous Covariates	1
Is Chemometrics the Most Important Advance in Analytical Chemistry Since the 1980s and Partial Least Squares the Jewel in the Crown?	1
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Kernel‐Based Bootstrap Synthetic Data to Estimate Measurement Uncertainty in Analytical Sciences	1
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Selection of principal variables through a modified Gram–Schmidt process with and without supervision	1
Sparse Twoblock Dimension Reduction: A Versatile Alternative to Sparse PLS2 and CCA	1
Prediction of Flash Point of Materials Using Bayesian Kernel Machine Regression Based on Gaussian Processes With LASSO‐Like Spike‐and‐Slab Hyperprior	1
Principal components analysis with several objects and variables	1
A comprehensive tutorial on data‐driven SIMCA: Theory and implementation in web	1
The canonical partial least squares approach to analysing multiway datasets—N‐CPLS	1
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Enhancing Similarity Measures for Binary Data in Clustering: The Role of Rare Events and Matching Absences	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
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