Journal of Chemometrics

Article	Citations
Comprehensive Anomaly Score Rank Based Unsupervised Sample Selection Method	50
Detection the internal quality of watermelon seeds based on terahertz imaging technology combined with image smoothing and enhancement algorithm	40
Determination of metal contents in aromatic herbs and spices from Algeria: Chemometric approach	24
Minimum Spanning Tree‐Based Clustering for Chemical Evaluation of Commercial Nail Polish Samples Using Spectroanalytical Data	23
From Wet Chemistry to Portable NIR: Robust High‐Throughput Compositional Models for Biomass Pretreatment	22
Partial Least Squares Scores	22
Data point importance: Information ranking in multivariate data	20
Chemometrics: A Vital Implement for Understanding the Water Structures by Near‐Infrared Spectroscopy	19
Coverage‐Aware Calibration and Selective Classification for Drifted Gas‐Sensor Arrays: A Controlled Shift Simulation Benchmark With Longitudinal Evaluation	19
Estimating Maize Canopy Nitrogen and Chlorophyll Content Using CNN‐GRU‐CBAM and Hyperspectral Imagery	18
The difference of model robustness assessment using cross‐validation and bootstrap methods	17
Robust Multivariate Dispersion Charts for Quality Control: Application to Sulfur Dioxide Monitoring	14
De Novo Design of HIV‐1 Integrase‐LEDGF/p75 Inhibitors Through Deep Reinforcement Learning and Virtual Screening	14
Augmenting Near‐Infrared Spectral Data With Auxiliary Regression Generative Adversarial Network for Enhanced Prediction of Watermelon Soluble Solids Content	12
Detection of talcum powder content in wheat flour by near infrared spectroscopy based on multilevel feature selection	12
A novel two‐phase near‐infrared and midinfrared wavelength selection framework for sample classification	12
	12
	11
Issue Information	11
	11
In‐Situ Detection of Microplastic Particles on Food Using Hyperspectral Imaging With One‐Dimensional Convolutional Neural Network and Artificial Neural Network	10
Multi‐Block Chemometric Approaches to the Unsupervised Spectral Characterization of Geological Samples	10
Principal Component Analysis: Standardisation	10
Ginseng Seed Variety Identification Based on Hyperspectral Imaging Technology and Transfer Learning	10
Issue Information	10

Supervised Restricted Data Fusion With Common, Local, and Distinct Components	10
Characterising the Effect of Cultivar and Roasting Temperature on FT‐NIR Spectral Data of Wheat Using ASCA	9
Alternative weighting schemes for fine‐tuned extended similarity indices	9
	9
Assessment of Conformal Prediction and Standard Normal Distribution for Autonomous Consensus One‐Class Classification	9
Comparison Between Portable and Bench‐Top Near‐Infrared Spectroscopy for Corn Silage Characterization Using Partial Least Square and Support Vector Regression Methods	9
Issue Information	9
Multimodal Stacked Modeling for Simultaneous Detection of Nutrient Concentrations With Turbidity Correction	9
ATR‐FTIR spectroscopy and chemometric complexity: unfolding the intra‐skeleton variability	8
Cover Picture	8
Foreword for Special Issue Devoted to the 14th Winter Symposium on Chemometrics (2024)	8
3D Fluorescence Spectroscopy Combined With Chemometrics as a Tool for Control of Imprinted Protein Purification From Template Molecules	8
Malt quality profile of barley predicted by near‐infrared spectroscopy using partial least squares, Bayesian regression, and artificial neural network models	8
	8
Issue Information	8
Fast Partition‐Based Cross‐Validation With Centering and Scaling for XTX$$ {\mathbf{X}}^{\mathbf{T}}\mathbf{X} $$ and XTY$$ {\mathbf{X}}^{\mathbf{T}}\mathbf{Y} $$	8
	8
Correlation‐Weighted Dynamic Feature Fusion for Multiblock Regression (CW‐DFF‐MBR): A Generalized Framework for Advanced Chemometric Modelling	8
Issue Information	8
Planetary and space science special issue	8
Chemometrics as a tool for monitoring corrosion degradation of the selected alloys in real conditions	8
Utilization of ultraviolet‐visible spectrophotometry in conjunction with wrapper method and correlated component regression for nitrite prediction outside the Beer–Lambert domain	7
Two‐step hybrid modeling for variable selection and estimation: An application to quantitative structure activity relationship study	7
Spectral Wavelength Selection Method Based on Improved Particle Swarm Optimization Idea and Simulated Annealing Strategy	7
Being Aware of Data Leakage and Cross‐Validation Scaling in Chemometric Model Validation	7
Why Is the Peak Group Analysis So Effective for IR Spectra Analysis?	7
A data‐driven soft sensor based on weighted probabilistic slow feature analysis for nonlinear dynamic chemical processes	7
Chemometrics Study to Understand the Interaction of Starch–Protein Mixtures and Food Texture	7
Three‐Way Data Reduction Based on Essential Information	7
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	7
Robust Multiplicative Scatter Correction Using Quantile Regression	7
Application of an ECAM‐ConvNeXt Model With Multichannel Spectrogram Based on Vis–NIR for Soil Property Prediction	6
	6
Issue Information	6
Resampling as a Robust Measure of Model Complexity in PARAFAC Models	6
Efficient Wavelength Selection for Limited Near‐Infrared Spectral Data via Genetic Algorithm and Hybrid Regression	6
	6
Issue Information	6
Issue Information	6
XR and Hybrid Data Visualization Spaces for Enhanced Data Analytics	6
Issue Information	6
	6
Issue Information	6
Heavy metal content prediction based on Random Forest and Sparrow Search Algorithm	6
A Deep Learning Approach for OER Electrocatalyst Kinetics Prediction	6
A synthetic review of some recent extensions of ComDim	5
	5
Origin of the OECD Principles for QSAR Validation and Their Role in Changing the QSAR Paradigm Worldwide: An Historical Overview	5
Issue Information	5
A Novel One‐Class Convolutional Autoencoder Combined With Excitation–Emission Matrix Fluorescence Spectroscopy for Authenticity Identification of Food	5

Cover Image	5
Cell Culture Media and Raman Spectra Preprocessing Procedures Impact Glucose Chemometrics	5
	5
Detection of skin defects in loquats based on grayscale features combined with reflectance, absorbance, and Kubelka–Munk spectra	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
Characterisation of Position‐Dependant Ripening Dynamics of Nectarines Using Near‐Infrared Spectroscopy and ASCA	5
Machine Learning for Raman Spectroscopy Glioblastoma Classification	5
	5
Adaptive soft sensor modeling of chemical processes based on an improved just‐in‐time learning and random mapping partial least squares	5
Quantitative Structure–Activity Relationship Modeling Based on Improving Kernel Ridge Regression	4
	4
Past, Present and Future of Research in Analytical Figures of Merit	4
Multifactorial 1, 3, 4‐Oxadiazole Derivatives as Cholinesterase and Glycogen Synthase Kinase‐3 β Inhibitors for Targeting Alzheimer's Disease: QSAR‐Based	4
A Spectral Matching Algorithm Based on the Wasserstein Metric	4
	4
Issue Information	4
Issue Information	4
Accurate and Rational Collision Cross Section Prediction Using Voxel‐Projected Area and Deep Learning	4
	4
	4
Extended Multiplicative Signal Correction of Noisy Raman Spectra	4
Issue Information	4
	4
Can One Recover the Underlying Spectral Data Matrix From a Given Borgen Plot?	4
Issue Information	4
The FTIR‐ATR Spectroscopy as a Biosensing Strategy for Thermal Effects in Permissibility Verification of Lard‐Adulterated Palm Oil	4
	4
Cover Picture	3
Developing Digital Twin Visualizations: A Methodology and Case Study on Chemical Separation Processing	3
Partial least squares regression with multiple domains	3
Supporting Process Analytical Technology in Pharmaceutical Manufacturing With Lean Chemometrics	3
Volatile Gas Detection Based on Electronic Nose Combined With a Feature Complementary Calculation Network to Identify the Adulterated Peanuts	3
Issue Information	3
Issue Information	3
FTIR Spectral Prediction of Ionic Liquids Using a Novel Hybrid MARS–PLS2 Chemometric Framework	3
	3
	3
Novel Sexalinear Decomposition Algorithm for Analyzing the Chemical Sexalinear Data Array	3
An antioxidative potential‐based comparison of different peanut extraction methods, optimized through response surface methodology	3
Automatic peak annotation and area estimation of glycan map peaks directly from chromatograms	3
Expanding the Chemometric Data Analysis Toolbox With Immersive Analytics	3
Unlocking New Capabilities in the Analysis of GC × GC‐TOFMS Data With Shift‐Invariant Multi‐Linearity	3
XAI‐2DCOS: Enhancing Interpretability in Spectral Deep Learning Models Through 2D Correlation Spectroscopy	3
Issue Information	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
limpca: An R package for the linear modeling of high‐dimensional designed data based on ASCA/APCA family of methods	3
Effect of Dough Yield, Flour Type and Fermentation Time on Sourdough Near‐Infrared Spectral Data With ANOVA–Simultaneous Component Analysis	3
Conceptual Differences Between Hyperspectral Unmixing, PCA, and Clustering: A Practical Demonstration Using Single‐Cell Raman Imaging	3
Iterative re‐weighted covariates selection for robust feature selection modelling in the presence of outliers (irCovSel)	3
Image‐based characterization of flocculation processes through PLS inspired representation learning in convolutional neural networks	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
	3
Issue Information	3
Issue Information	3
Semi‐Supervised Gaussian Mixture Regression With Gaussian Mixture Model Pretraining With Unlabeled Data	3
	3
Nonparametric Threshold Estimation of Autocorrelated Statistics in Multivariate Statistical Process Monitoring	2
Can Angle Measures Be Useful in MCR Analyses?	2
Nondestructive Identification of Paper Based on Relative Formation Time Using Three‐Dimensional Fluorescence Spectroscopy Combined With Supervised Learning	2
Local Asymmetric Least Squares (LAsLS) for Noisy and Complex Baseline Correction	2
Multimodal Interaction Enhanced Immersive Analytics: Enabling Accessible Virtual Reality Data Analysis for Blind and Visually Impaired Users	2
Adjusted Pareto Scaling for Multivariate Calibration Models	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
Performance of NIR‐Based Regression Models for Hyperforin Quantification in St. John's Wort Under Temporal Validation	2
Issue Information	2
Omega‐3 Marine Fatty Acid Supplementation to Healthy Subjects Interacts With Moderate Physical Activity to Provide a Cardiovascular Healthier Lipoprotein Subclass Profile	2
Structured discriminative Gaussian graph learning for multimode process monitoring	2
Detection storage time of mangoes after mild bruise based on hyperspectral imaging combined with deep learning	2
	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
Dedicated to Edmund R. Malinowski. Secondary, model‐based examination of model‐free analysis results: Making the most of soft‐modelling outcomes	2
Methodologies based on ASCA to elucidate the influence of a subprocess: Vinification as a case of study	2
Noise simulation in classification with the noisemodel R package: Applications analyzing the impact of errors with chemical data	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
TCN–GRU With Multihead Attention (TCN–GRU–MATT) for Quantitative Regression of NO 2 From SERS Spectra	2
Automatic pretreatment and multiblock analysis of flavor release and sensory temporal data simultaneously collected in vivo	2
lrSVD: An efficient imputation algorithm for incomplete high‐throughput compositional data	2

Infrared Spectroscopy and Machine Learning for Classification of Red Stamp Inks on Questioned Documents	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
On a black hole effect in bilinear curve resolution based on least squares	2
Next‐Gen Crop Monitoring: MTEG‐RTU Algorithm and UAV Synergy for Precise Disease Diagnosis	2
ASER: Adapted squared error relevance for rare cases prediction in imbalanced regression	2
Optimizing Distance‐Based Classification in Hyperspectral Imaging: a Tutorial on the Influence of Spectral Pretreatments	2
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
Special Issue for Celebrating Prof. Ruqin Yu's 90th Birthday	2
Issue Information	2
Enhanced Discrimination of Thawed and Nonfrozen Chicken Thighs Using Convex Hull Peeling in Visible Spectral Imaging	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
Partial Least Squares Regression Models for Outdoor Air Pollutant Forecasting	2
Application of ATR‐FTIR Spectrum Combined With Ensemble Learning and Deep Learning for Identification of Amomum tsao‐ko at Different Drying Temperatures	2
	2
Dynamic Entropy‐Guided Mixup for Data Augmentation in High‐Dimensional Small‐Sample Spectral Analysis: Application to Geographical Origin Classification of Euryales Semen	2
Spatial–Temporal Deviation Analysis for Multivariate Statistical Process Monitoring	2
Comparative study using design experiment to assess an anionic dye degradation in aqueous solution through the application of different advanced oxidation processes	2
Application of chemometrics on Raman spectra from Mars: Recent advances and future perspectives	2
A Dynamic Iterative Data Cleaning Strategy Based on Model Feedback to Enhance the Prediction Accuracy of Nanocellulose Emulsions	2
Deep Information Retention Network‐Enabled Data Modeling for Key Quality Indicator Prediction in the Chemical Industry	2
Smart Monitoring Solutions for Real‐Time Water pH Regulation in Aquatic Ecotoxicology	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
Roadmap for outlier detection in univariate linear calibration in analytical chemistry: Tutorial review	2
Principal balances of compositional data for regression and classification using partial least squares	2
Evaluation of Annual Storage on Online Released Compounds in Artemisia argyi Smoke With GC‐MS‐Based Untargeted Metabolomics Coupled With Chemometric Meth	2
In honour of Edmund R. Malinowski	2
SFMD‐X: A New Functional Data Classifier Based on Shrinkage Functional Mahalanobis Distance	2
Remembering Prof. Edmund R. Malinowski, 1932–2020 Professor of Chemistry, 1963–1997 Stevens Institute of Technology	2
An algorithm for robust multiblock partial least squares predictive modelling	1
Nondestructive Identification of Wheat Seed Variety and Geographical Origin Using Near‐Infrared Hyperspectral Imagery and Deep Learning	1
	1
Novelty and Similarity: Detection Using Data‐Driven Soft Independent Modeling of Class Analogy	1
Getting Insights Into Chromatographic Properties of HILIС and Mixed‐Mode Homemade Stationary Phases Using Principal Component and Cluster Analyses	1
Risk‐Adjusted Robust Classification of Coagulation Potential in the Regeneration of Waste Lubricant Oil	1
Classification of Horsetails Using Predictive Modelling on NIR Spectra	1
An adaptive strategy for time‐varying batch process fault prediction based on stochastic configuration network	1
Issue Information	1
Kernel‐Based Bootstrap Synthetic Data to Estimate Measurement Uncertainty in Analytical Sciences	1
Permutation Strategies for Inference in ANOVA‐Based Models for Nonorthogonal Designs Including Continuous Covariates	1
Sparse Twoblock Dimension Reduction: A Versatile Alternative to Sparse PLS2 and CCA	1
Evaluation of spectral collection strategies for identification of Dalbergia spp. using handheld laser‐induced breakdown spectroscopy	1
Research progress on the application of hyperspectral imaging techniques in tea science	1
Adaptive deep fusion neural network based soft sensor for industrial process	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
	1
Expanding Multivariate Analysis Principles in Conventional Chemometric Processes	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
Is Chemometrics the Most Important Advance in Analytical Chemistry Since the 1980s and Partial Least Squares the Jewel in the Crown?	1
Augmented Reality as a Tool to Immerse Students in Chemistry Education	1
Preface	1
Issue Information	1
Dynamic Process Fault Detection and Diagnosis Method Based on Factor Analysis: Application on the Three‐Tank System Process	1
Selection of principal variables through a modified Gram–Schmidt process with and without supervision	1
On the complementary nature of ANOVA simultaneous component analysis (ASCA+) and Tucker3 tensor decompositions on designed multi‐way datasets	1
Identifying putative key metabolites from fingerprinting metabolomics for the authentication of rice origin: A case study of Sengcu rice	1
Correction to “Transforming Hyperspectral Images Into Chemical Maps: A Novel End‐to‐End Deep Learning Approach”	1
	1
Issue Information	1
Enhancing Similarity Measures for Binary Data in Clustering: The Role of Rare Events and Matching Absences	1
Honoring Professor Tormod Næs—A Pillar of Chemometrics	1
Issue Information	1
Issue Information	1
Progress of Complex System Process Analysis Based on Modern Spectroscopy Combined With Chemometrics	1
Issue Information	1
Detection of Lead Chrome Green in Tea Based on Near‐Infrared Reflectance Spectroscopy	1
A Perspective on Using Immersive Analytics With Virtual Reality for One‐Class Classification Decisions	1
Feasibility Study on Identifying Seed Variety of Soybean With Hyperspectral Imaging and Deep Learning	1
Robust Constrained Partial Least Squares: A Robust Integrated Algorithm for Multivariate Regression in the Presence of Outliers, Interfering Analytes, and Structured External Influences	1
kNNPC (k‐Nearest Neighbor Algorithm Per‐Class): Classification Method Predicting Extrapolation Regions With Reasonable Probability	1
Detection of the storage time of light bruises in yellow peaches based on spectrum and texture features of hyperspectral image	1
Industrial Process Fault Detection Based on IGA‐Combinatorial Model Decision Mechanism	1
Issue Information	1
Prediction of Flash Point of Materials Using Bayesian Kernel Machine Regression Based on Gaussian Processes With LASSO‐Like Spike‐and‐Slab Hyperprior	1