Journal of Chemometrics

Article	Citations
H‐type indices with applications in chemometrics I: h‐multiple similarity index	44
Issue Information	32
Minimum Spanning Tree‐Based Clustering for Chemical Evaluation of Commercial Nail Polish Samples Using Spectroanalytical Data	23
Robust Multivariate Dispersion Charts for Quality Control: Application to Sulfur Dioxide Monitoring	16
Chemometrics: A Vital Implement for Understanding the Water Structures by Near‐Infrared Spectroscopy	15
Detection the internal quality of watermelon seeds based on terahertz imaging technology combined with image smoothing and enhancement algorithm	15
Comprehensive Anomaly Score Rank Based Unsupervised Sample Selection Method	14
Ensemble classification and regression techniques combined with portable near infrared spectroscopy for facile and rapid detection of water adulteration in bovine raw milk	13
The difference of model robustness assessment using cross‐validation and bootstrap methods	12
Determination of metal contents in aromatic herbs and spices from Algeria: Chemometric approach	11
	10
Detection of talcum powder content in wheat flour by near infrared spectroscopy based on multilevel feature selection	10
Data point importance: Information ranking in multivariate data	10
Issue Information	9
Principal Component Analysis: Standardisation	9
A novel two‐phase near‐infrared and midinfrared wavelength selection framework for sample classification	9
Issue Information	9
A chemometrician's guide to transfer learning	8
	8
Assessment of Conformal Prediction and Standard Normal Distribution for Autonomous Consensus One‐Class Classification	8
Alternative weighting schemes for fine‐tuned extended similarity indices	8
ATR‐FTIR spectroscopy and chemometric complexity: unfolding the intra‐skeleton variability	7
Optimization total phenolic content and antioxidant activity of Saccocalyx satureioides extracts obtained by ultrasonic‐assisted extraction	7
Issue Information	7
Multi‐Block Chemometric Approaches to the Unsupervised Spectral Characterization of Geological Samples	7

Monte Carlo methods for estimating Mallows's Cp and AIC criteria for PLSR models. Illustration on agronomic spectroscopic NIR data	7
Multimodal Stacked Modeling for Simultaneous Detection of Nutrient Concentrations With Turbidity Correction	7
	7
A data‐driven soft sensor based on weighted probabilistic slow feature analysis for nonlinear dynamic chemical processes	6
	6
	6
Malt quality profile of barley predicted by near‐infrared spectroscopy using partial least squares, Bayesian regression, and artificial neural network models	6
Robust Multiplicative Scatter Correction Using Quantile Regression	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	5
Chemometrics as a tool for monitoring corrosion degradation of the selected alloys in real conditions	5
Planetary and space science special issue	5
Issue Information	5
Benchtop NIR data standardization on handheld spectrometers to identify paracetamol tablets	5
Foreword for Special Issue Devoted to the 14th Winter Symposium on Chemometrics (2024)	5
Cover Picture	5
Issue Information	5
3D Fluorescence Spectroscopy Combined With Chemometrics as a Tool for Control of Imprinted Protein Purification From Template Molecules	5
Being Aware of Data Leakage and Cross‐Validation Scaling in Chemometric Model Validation	5
	5
Two‐step hybrid modeling for variable selection and estimation: An application to quantitative structure activity relationship study	5
Fast Partition‐Based Cross‐Validation With Centering and Scaling for XTX$$ {\mathbf{X}}^{\mathbf{T}}\mathbf{X} $$ and XTY$$ {\mathbf{X}}^{\mathbf{T}}\mathbf{Y} $$	4
Issue Information	4
Three‐Way Data Reduction Based on Essential Information	4
Resampling as a Robust Measure of Model Complexity in PARAFAC Models	4
Utilization of ultraviolet‐visible spectrophotometry in conjunction with wrapper method and correlated component regression for nitrite prediction outside the Beer–Lambert domain	4
Determination of active ingredients in alcohol‐based gel by spectroscopic techniques and chemometric analysis	4
Multisource information fusion strategies of mass spectrometry and Fourier transform infrared spectroscopy data for authenticating the age and parts of Vietnamese ginseng	4
Efficient Wavelength Selection for Limited Near‐Infrared Spectral Data via Genetic Algorithm and Hybrid Regression	4
	4
Issue Information	4
Issue Information	4
	4
A reliable algorithm for calculating stoichiometry parameters in the hard modeling of spectrophotometric titration data	3
	3
Adaptive soft sensor modeling of chemical processes based on an improved just‐in‐time learning and random mapping partial least squares	3
	3
A synthetic review of some recent extensions of ComDim	3
Decomposition of overlapping peaks in X‐ray fluorescence using improved crow searching algorithm based on opposite learning	3
	3
Feature Variable Selection for Near‐Infrared Spectroscopy Based on Simulated Annealing Bee Colony Algorithm	3
	3
Heavy metal content prediction based on Random Forest and Sparrow Search Algorithm	3
Detection of skin defects in loquats based on grayscale features combined with reflectance, absorbance, and Kubelka–Munk spectra	3
A Novel One‐Class Convolutional Autoencoder Combined With Excitation–Emission Matrix Fluorescence Spectroscopy for Authenticity Identification of Food	3
Characterisation of Position‐Dependant Ripening Dynamics of Nectarines Using Near‐Infrared Spectroscopy and ASCA	3
Origin of the OECD Principles for QSAR Validation and Their Role in Changing the QSAR Paradigm Worldwide: An Historical Overview	3
Cover Image	3
Cell Culture Media and Raman Spectra Preprocessing Procedures Impact Glucose Chemometrics	3
Issue Information	2
Issue Information	2

	2
	2
Performance enhancement‐based active learning sample selection method	2
Partial least squares regression with multiple domains	2
Optimized extraction of Pb (II) and Co (II) with glycolamide mono and di‐ionic liquids using response surface methodology	2
Can One Recover the Underlying Spectral Data Matrix From a Given Borgen Plot?	2
Issue Information	2
Who is winning? A comparison of humans versus computers for calibration model building	2
Issue Information	2
	2
Issue Information	2
Sample selection method using near‐infrared spectral information entropy as similarity criterion for constructing and updating peach firmness and soluble solids content prediction models	2
Past, Present and Future of Research in Analytical Figures of Merit	2
Data‐analysis method for material optimization by forecasting long‐term chemical stability	2
	2
Issue Information	2
Introduction to statistical, algorithmic and theoretical basis of principal components analysis	2
Experimental design optimization and isotherm modeling for removal of copper(II) by calcium‐terephthalate MOF synthesized from recycled PET waste	2
A dynamic sample augmentation Kriging metamodeling method for industrial residue hydrogenation process	1
A tutorial on the analysis of multifactorial designs from one or more data sources using AComDim	1
Toward more efficient and effective color quality control for the large‐scale offset printing process	1
	1
Spatial–Temporal Deviation Analysis for Multivariate Statistical Process Monitoring	1
Comparative study using design experiment to assess an anionic dye degradation in aqueous solution through the application of different advanced oxidation processes	1
Methodologies based on ASCA to elucidate the influence of a subprocess: Vinification as a case of study	1
Remembering Prof. Edmund R. Malinowski, 1932–2020 Professor of Chemistry, 1963–1997 Stevens Institute of Technology	1
	1
Application of chemometrics on Raman spectra from Mars: Recent advances and future perspectives	1
Calibration model fusion	1
Deep chemometrics: Validation and transfer of a global deep near‐infrared fruit model to use it on a new portable instrument	1
Comprehensive multivariate evaluation of the effects on cell phenotypes in multicolor flow cytometry data using ANOVA simultaneous component analysis	1
Deep Information Retention Network‐Enabled Data Modeling for Key Quality Indicator Prediction in the Chemical Industry	1
Unlocking New Capabilities in the Analysis of GC × GC‐TOFMS Data With Shift‐Invariant Multi‐Linearity	1
A brief note on a new faster covariate's selection (fCovSel) algorithm	1
On the Replicability of the Thermodynamic Modeling of Spectroscopic Titration Data in the Nickel(II) En System	1
Issue Information	1
Swiss knife covariates selection: A unified algorithm for covariates selection in single block, multiblock, multiway, multiway multiblock cases including multiple responses	1
Omega‐3 Marine Fatty Acid Supplementation to Healthy Subjects Interacts With Moderate Physical Activity to Provide a Cardiovascular Healthier Lipoprotein Subclass Profile	1
Two new methods for the estimation and interpretation of the range of feasible profiles in multivariate curve resolution and their implications to analytical chemistry	1
Automatic pretreatment and multiblock analysis of flavor release and sensory temporal data simultaneously collected in vivo	1
Roadmap for outlier detection in univariate linear calibration in analytical chemistry: Tutorial review	1
An antioxidative potential‐based comparison of different peanut extraction methods, optimized through response surface methodology	1
On a black hole effect in bilinear curve resolution based on least squares	1
Diagnosing indirect relationships in multivariate calibration models	1
ASER: Adapted squared error relevance for rare cases prediction in imbalanced regression	1
limpca: An R package for the linear modeling of high‐dimensional designed data based on ASCA/APCA family of methods	1
Implications of confounding from unmodeled interactions between explanatory variables when using latent variable regression models to make inferences	1
	1
Issue Information	1
Issue Information	1
Image‐based characterization of flocculation processes through PLS inspired representation learning in convolutional neural networks	1
Next‐Gen Crop Monitoring: MTEG‐RTU Algorithm and UAV Synergy for Precise Disease Diagnosis	1
Structured discriminative Gaussian graph learning for multimode process monitoring	1
Application of ATR‐FTIR Spectrum Combined With Ensemble Learning and Deep Learning for Identification of Amomum tsao‐ko at Different Drying Temperatures	1
A chemometrician's guide to transfer learning	1
Iterative re‐weighted covariates selection for robust feature selection modelling in the presence of outliers (irCovSel)	1
Nonparametric Threshold Estimation of Autocorrelated Statistics in Multivariate Statistical Process Monitoring	1
Cover Picture	1
Novel Sexalinear Decomposition Algorithm for Analyzing the Chemical Sexalinear Data Array	1
Automatic peak annotation and area estimation of glycan map peaks directly from chromatograms	1
Smart Monitoring Solutions for Real‐Time Water pH Regulation in Aquatic Ecotoxicology	1
	1
	0
Classification of colorectal primer carcinoma from normal colon with mid‐infrared spectra	0
Raman spectroscopy and multivariate analysis for identification and classification of pharmaceutical pain reliever tablets	0
	0
	0
Forensic Comparison of Amphetamine Chemical Profiles by Bayesian Predictive Modelling	0
Issue Information	0
A Greener, Safer, and More Understandable AI for Natural Science and Technology	0
Using the extract of pomegranate peel as a natural indicator for colorimetric detection and simultaneous determination of Fe3+ and Fe2+ by partial least squares–artificial neural	0
A prediction model of nonclassical secreted protein based on deep learning	0
On the possible benefits of deep learning for spectral preprocessing	0
Optimizing air quality predictions: A discrete wavelet transform and long short‐term memory approach with wavelet‐type selection for hourly PM10 concentrations	0
Ink source prediction and assessment based on direct analysis in real‐time mass spectrometry via the likelihood ratio	0
Estimating the reliability of predictions in locally weighted partial least‐squares modeling	0
An Alignment‐Agnostic Methodology for the Analysis of Designed Separations Data	0
Detection the quality of pumpkin seeds based on terahertz coupled with convolutional neural network	0
Improving Vapor Pressure Prediction Through Integration of Multiple Molecular Representations: A Super Learner Approach	0
A Non‐Linear Model for Multiple Alcohol Intakes and Optimal Designs Strategies	0

Issue Information	0
Issue Information	0
Stacking Ensemble Learning Method for Quantitative Analysis of Soluble Solid Content in Apples	0
Teach Chemometrics in short course format	0
Description of the short communication “Is core consistency a too conservative diagnostic?”	0
Sparse Multiple Factor Analysis, sparse STATIS, and sparse DiSTATIS with applications to sensory evaluation	0
Issue Information	0
Dual‐constrained and primal‐constrained principal component analysis	0
Rapid Detection of Stabilizer Content in Double‐Base Propellant Based on Artificial Neural Network Combined With Near‐Infrared Spectroscopy	0
Intelligent component detection of quaternary blended oil based on near infrared spectroscopy technology	0
Selective protein quantification on continuous chromatography equipment with limited absorbance sensing: A partial least squares and statistical wavelength selection solution	0
Principal Components Analysis: Centring and Rotations	0
Advancements in multivariate analysis of variance	0
Visualization of confusion matrices with network graphs	0
Issue Information	0
Issue Information	0
Optimization of ultrasonic‐assisted extraction and purification of flavonoids with biological activities from Ficus Pumila L.	0
Application of principal component analysis‐multivariate adaptive regression splines for the determination of surface area in zeolites	0
Cover Image	0
Experimental designs for controlling the correlation of estimators in two‐parameter models	0
	0
	0
Report of Path Modelling Workshop, Zaandam, The Netherlands, 25–26 April 2022	0
Authentication of edible oils using an infrared spectral library and digital sample sets: A feasibility study	0
Response surface experimental design for simultaneous chromatographic determination of two antiviral agents “Favipiravir and Remdesivir” in pharmaceuticals and spiked plasma samples	0
Cover Picture	0
Population Power Curves in ASCA With Permutation Testing	0
Partial least median of squares regression	0
Machine learning in prediction of intrinsic aqueous solubility of drug‐like compounds: Generalization, complexity, or predictive ability?	0
Identification of potential vascular endothelial growth factor receptor inhibitors via tree‐based learning modeling and molecular docking simulation	0
Near‐Infrared Spectroscopy and Aquaphotomics in Cancer Research: A Pilot Study	0
Just‐in‐time latent autoregressive residual generation for dynamic process monitoring	0
Determination of Halitosis by Exhaled Breath Analysis Using Semiconductor Metal Oxide Sensors and Chemometric Methods	0
Expandable Diffusion Map–Based Weighted k‐Nearest Neighbor Technique for Multimode Batch Process Monitoring	0
On the Properties of PLS for Analyzing Two‐Level Factorial Experimental Designs	0
	0
Issue Information	0
Methodology adjusting for least squares regression slope in the application of multiplicative scatter correction to near‐infrared spectra of forage feed samples	0
Issue Information	0
Issue Information	0
Extreme Learning Machine Combined With Whale Optimization Algorithm for Spectral Quantitative Analysis of Complex Samples	0
X‐Ray Computed Tomography Meets Robust Chemometric Latent Space Modeling for Lean Meat Percentage Prediction in Pig Carcasses	0
	0
	0
Evaluation of Classical Least Squares Discriminant Analysis (CLS‐DA) as a Novel Supervised Pattern Recognition Technique	0
Permutation tests for ASCA in multivariate longitudinal intervention studies	0
Firefly Interval Selection Combined With Extreme Learning Machine for Spectral Quantification of Complex Samples	0
Issue Information	0
ATR‐FTIR Spectroscopy Preprocessing Technique Selection for Identification of Geographical Origins of Gastrodia elata Blume	0
Distribution‐free predictive inference for partial least squares regression with applications to molecular descriptors datasets	0
Detection of moisture content of edamame based on the fusion of reflectance and transmittance spectra of hyperspectral imaging	0
Artificial neural network (ANN) modeling for simultaneous removal of a binary mixture of Pb(II) and Cu(II) by cobalt hydroxide nano‐flakes	0
Determination of Tetracaine and Oxymetazoline in Drugs and Saliva via Potentiometric Sensor Arrays Based on Fluoropolymer/Polyaniline Composites	0
	0
Issue Information	0
Variable selection by permutation applied in support vector regression models	0
Graphical introduction to principal components analysis	0
Mid‐infrared spectroscopy study of aqueous solution of ethylene glycol using chemometrics analysis and two‐dimensional correlation spectroscopy	0
Paul Geladi (1951–2024) Chemometrician, spectroscopist and pioneer	0
Weighted multivariate curve resolution—Alternating least squares based on sample relevance	0
Issue Information	0
Assessment of adulteration of sage (Salvia sp.) with olive leaves using high‐performance thin‐layer chromatography, image analysis, and multivariate linear modeling	0
Quantitative study on impact damage of honey peaches based on reflection, absorbance, and Kubelka‐Munk spectrum combined with color characteristics	0
Data Quality: Importance of the ‘Before Analysis’ Domain [Theory of Sampling (TOS)]	0
Issue Information	0
A note on rank deficiency and numerical modeling	0
Chemometric Classification of Motor Oils Using 1H NMR Spectroscopy With Simultaneous Phase and Baseline Optimization	0
Fault Detection Strategy of Partial Least Squares Based on Temporal Neighborhood Difference	0
Fast quantification of diclofenac sodium content in commercially available tablets by transmission Raman spectroscopy with PLS	0
Flexible Trilinearity Alignment (FTA) and Shift Invariant Transformation (SIT) Constraints in Three‐Way Multivariate Curve Resolution Data Analysis	0
Classification of forensic hyperspectral paper data using hybrid spectral similarity algorithms	0
On the signal contribution function with respect to different norms	0
A Novel Automated System for Early Diabetic Retinopathy Detection and Severity Classification	0
Chromatographic method development for simultaneous determination of serotonin, melatonin, and L‐tryptophan: Mass transfer modeling, chromatographic separation factors, and method prediction by artifi	0
Monitoring a Coffee Roasting Process Based on Near‐Infrared and Raman Spectroscopy Coupled With Chemometrics	0
Issue Information	0
A comprehensive tutorial on Data‐Driven SIMCA: Theory and implementation in web	0
Artificial and Algorithmic Screening of Infrared Spectral Feature Bands of Gastrodia elata to Achieve Rapid Identification of Its Species	0
A systematic study on the effect of different error structures on pseudo‐univariate and multivariate figures of merit	0
On partial least‐squares estimation in scalar‐on‐function regression models	0
Semi‐quantification of binary saline solutions by Raman spectroscopy: Implications for Europa	0
Correction to “Fast Partition‐Based Cross‐Validation With Centering and Scaling for XTX and XTY”	0
Issue Information	0
Classification of tablet formulations by desorption electrospray ionisation mass spectrometry and transmission Raman spectroscopy	0
Use oft‐distributed stochastic neighbour embedding in vibrational spectroscopy	0
Issue Information	0
A Simulation Study of the Effects of Additive, Multiplicative, Correlated, and Uncorrelated Errors on Principal Component Analysis	0
Analytical Figures of Merit in Univariate, Multivariate, and Multiway Calibration: What Have We Learned? What Do We Still Need to Learn?	0
	0
	0
Geographical Influence on Metabolite Profiles of Cupressus torulosa: UPLC‐QTOF‐MS (Positive Mode) and Chemometric Insights	0
Smoothing and differentiation of data by Tikhonov and fractional derivative tools, applied to surface‐enhanced Raman scattering (SERS) spectra of crystal violet dye	0
Efficiently handling high‐dimensional data from multifactorial designs with unequal group sizes using Rebalanced ASCA (RASCA)	0
Editorial	0
Affine combination‐based over‐sampling for imbalanced regression	0