Journal of Chemometrics

Papers
(The TQCC of Journal of Chemometrics is 2. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2021-08-01 to 2025-08-01.)
ArticleCitations
The difference of model robustness assessment using cross‐validation and bootstrap methods35
Determination of metal contents in aromatic herbs and spices from Algeria: Chemometric approach17
Comprehensive Anomaly Score Rank Based Unsupervised Sample Selection Method16
Data point importance: Information ranking in multivariate data16
Detection the internal quality of watermelon seeds based on terahertz imaging technology combined with image smoothing and enhancement algorithm15
Issue Information15
Robust Multivariate Dispersion Charts for Quality Control: Application to Sulfur Dioxide Monitoring14
Chemometrics: A Vital Implement for Understanding the Water Structures by Near‐Infrared Spectroscopy14
Ensemble classification and regression techniques combined with portable near infrared spectroscopy for facile and rapid detection of water adulteration in bovine raw milk13
Minimum Spanning Tree‐Based Clustering for Chemical Evaluation of Commercial Nail Polish Samples Using Spectroanalytical Data12
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Detection of talcum powder content in wheat flour by near infrared spectroscopy based on multilevel feature selection11
Principal Component Analysis: Standardisation11
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Multi‐Block Chemometric Approaches to the Unsupervised Spectral Characterization of Geological Samples10
A novel two‐phase near‐infrared and midinfrared wavelength selection framework for sample classification10
Alternative weighting schemes for fine‐tuned extended similarity indices10
De Novo Design of HIV‐1 Integrase‐LEDGF/p75 Inhibitors Through Deep Reinforcement Learning and Virtual Screening10
Multimodal Stacked Modeling for Simultaneous Detection of Nutrient Concentrations With Turbidity Correction9
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Optimization total phenolic content and antioxidant activity of Saccocalyx satureioides extracts obtained by ultrasonic‐assisted extraction8
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A chemometrician's guide to transfer learning8
Assessment of Conformal Prediction and Standard Normal Distribution for Autonomous Consensus One‐Class Classification8
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Monte Carlo methods for estimating Mallows's Cp and AIC criteria for PLSR models. Illustration on agronomic spectroscopic NIR data8
Malt quality profile of barley predicted by near‐infrared spectroscopy using partial least squares, Bayesian regression, and artificial neural network models8
ATR‐FTIR spectroscopy and chemometric complexity: unfolding the intra‐skeleton variability8
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Planetary and space science special issue7
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Utilization of ultraviolet‐visible spectrophotometry in conjunction with wrapper method and correlated component regression for nitrite prediction outside the Beer–Lambert domain7
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Foreword for Special Issue Devoted to the 14th Winter Symposium on Chemometrics (2024)6
Three‐Way Data Reduction Based on Essential Information6
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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3D Fluorescence Spectroscopy Combined With Chemometrics as a Tool for Control of Imprinted Protein Purification From Template Molecules6
Being Aware of Data Leakage and Cross‐Validation Scaling in Chemometric Model Validation6
Chemometrics as a tool for monitoring corrosion degradation of the selected alloys in real conditions6
Robust Multiplicative Scatter Correction Using Quantile Regression6
Two‐step hybrid modeling for variable selection and estimation: An application to quantitative structure activity relationship study6
Benchtop NIR data standardization on handheld spectrometers to identify paracetamol tablets6
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Resampling as a Robust Measure of Model Complexity in PARAFAC Models5
Efficient Wavelength Selection for Limited Near‐Infrared Spectral Data via Genetic Algorithm and Hybrid Regression5
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A data‐driven soft sensor based on weighted probabilistic slow feature analysis for nonlinear dynamic chemical processes5
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Determination of active ingredients in alcohol‐based gel by spectroscopic techniques and chemometric analysis5
Heavy metal content prediction based on Random Forest and Sparrow Search Algorithm5
Multisource information fusion strategies of mass spectrometry and Fourier transform infrared spectroscopy data for authenticating the age and parts of Vietnamese ginseng5
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 F5
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Decomposition of overlapping peaks in X‐ray fluorescence using improved crow searching algorithm based on opposite learning4
A synthetic review of some recent extensions of ComDim4
A reliable algorithm for calculating stoichiometry parameters in the hard modeling of spectrophotometric titration data4
Adaptive soft sensor modeling of chemical processes based on an improved just‐in‐time learning and random mapping partial least squares4
A Novel One‐Class Convolutional Autoencoder Combined With Excitation–Emission Matrix Fluorescence Spectroscopy for Authenticity Identification of Food4
Origin of the OECD Principles for QSAR Validation and Their Role in Changing the QSAR Paradigm Worldwide: An Historical Overview4
Detection of skin defects in loquats based on grayscale features combined with reflectance, absorbance, and Kubelka–Munk spectra4
Feature Variable Selection for Near‐Infrared Spectroscopy Based on Simulated Annealing Bee Colony Algorithm4
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Characterisation of Position‐Dependant Ripening Dynamics of Nectarines Using Near‐Infrared Spectroscopy and ASCA4
Cell Culture Media and Raman Spectra Preprocessing Procedures Impact Glucose Chemometrics4
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Accurate and Rational Collision Cross Section Prediction Using Voxel‐Projected Area and Deep Learning3
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Quantitative Structure–Activity Relationship Modeling Based on Improving Kernel Ridge Regression3
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Data‐analysis method for material optimization by forecasting long‐term chemical stability3
Can One Recover the Underlying Spectral Data Matrix From a Given Borgen Plot?3
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Experimental design optimization and isotherm modeling for removal of copper(II) by calcium‐terephthalate MOF synthesized from recycled PET waste3
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Who is winning? A comparison of humans versus computers for calibration model building3
Past, Present and Future of Research in Analytical Figures of Merit3
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XAI‐2DCOS: Enhancing Interpretability in Spectral Deep Learning Models Through 2D Correlation Spectroscopy3
Optimized extraction of Pb (II) and Co (II) with glycolamide mono and di‐ionic liquids using response surface methodology3
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Unlocking New Capabilities in the Analysis of GC × GC‐TOFMS Data With Shift‐Invariant Multi‐Linearity2
A tutorial on the analysis of multifactorial designs from one or more data sources using AComDim2
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Iterative re‐weighted covariates selection for robust feature selection modelling in the presence of outliers (irCovSel)2
Spatial–Temporal Deviation Analysis for Multivariate Statistical Process Monitoring2
Methodologies based on ASCA to elucidate the influence of a subprocess: Vinification as a case of study2
Enhanced Discrimination of Thawed and Nonfrozen Chicken Thighs Using Convex Hull Peeling in Visible Spectral Imaging2
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Image‐based characterization of flocculation processes through PLS inspired representation learning in convolutional neural networks2
Smart Monitoring Solutions for Real‐Time Water pH Regulation in Aquatic Ecotoxicology2
Automatic peak annotation and area estimation of glycan map peaks directly from chromatograms2
Influence of a Measurement Procedure and Evaluation of Transflectance Sensing System for Quantifying Sunflower Oil Adulterations in Olive Oil. A Proof of Concept2
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Comprehensive multivariate evaluation of the effects on cell phenotypes in multicolor flow cytometry data using ANOVA simultaneous component analysis2
A brief note on a new faster covariate's selection (fCovSel) algorithm2
Partial least squares regression with multiple domains2
Sample selection method using near‐infrared spectral information entropy as similarity criterion for constructing and updating peach firmness and soluble solids content prediction models2
Toward more efficient and effective color quality control for the large‐scale offset printing process2
A dynamic sample augmentation Kriging metamodeling method for industrial residue hydrogenation process2
Automatic pretreatment and multiblock analysis of flavor release and sensory temporal data simultaneously collected in vivo2
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Deep Information Retention Network‐Enabled Data Modeling for Key Quality Indicator Prediction in the Chemical Industry2
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Application of chemometrics on Raman spectra from Mars: Recent advances and future perspectives2
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Performance enhancement‐based active learning sample selection method2
ASER: Adapted squared error relevance for rare cases prediction in imbalanced regression2
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On the Replicability of the Thermodynamic Modeling of Spectroscopic Titration Data in the Nickel(II) En System2
Introduction to statistical, algorithmic and theoretical basis of principal components analysis2
limpca: An R package for the linear modeling of high‐dimensional designed data based on ASCA/APCA family of methods2
Nonparametric Threshold Estimation of Autocorrelated Statistics in Multivariate Statistical Process Monitoring2
Remembering Prof. Edmund R. Malinowski, 1932–2020 Professor of Chemistry, 1963–1997 Stevens Institute of Technology2
On a black hole effect in bilinear curve resolution based on least squares2
Novel Sexalinear Decomposition Algorithm for Analyzing the Chemical Sexalinear Data Array2
An antioxidative potential‐based comparison of different peanut extraction methods, optimized through response surface methodology2
Next‐Gen Crop Monitoring: MTEG‐RTU Algorithm and UAV Synergy for Precise Disease Diagnosis2
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