Journal of Chemometrics

Papers
(The TQCC of Journal of Chemometrics is 3. 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 2021-12-01 to 2025-12-01.)
ArticleCitations
Robust Multivariate Dispersion Charts for Quality Control: Application to Sulfur Dioxide Monitoring20
Minimum Spanning Tree‐Based Clustering for Chemical Evaluation of Commercial Nail Polish Samples Using Spectroanalytical Data19
Data point importance: Information ranking in multivariate data18
Comprehensive Anomaly Score Rank Based Unsupervised Sample Selection Method18
Chemometrics: A Vital Implement for Understanding the Water Structures by Near‐Infrared Spectroscopy17
Determination of metal contents in aromatic herbs and spices from Algeria: Chemometric approach15
Ensemble classification and regression techniques combined with portable near infrared spectroscopy for facile and rapid detection of water adulteration in bovine raw milk14
The difference of model robustness assessment using cross‐validation and bootstrap methods14
Detection the internal quality of watermelon seeds based on terahertz imaging technology combined with image smoothing and enhancement algorithm14
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Principal Component Analysis: Standardisation12
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A novel two‐phase near‐infrared and midinfrared wavelength selection framework for sample classification12
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De Novo Design of HIV‐1 Integrase‐LEDGF/p75 Inhibitors Through Deep Reinforcement Learning and Virtual Screening11
Detection of talcum powder content in wheat flour by near infrared spectroscopy based on multilevel feature selection11
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Alternative weighting schemes for fine‐tuned extended similarity indices9
Malt quality profile of barley predicted by near‐infrared spectroscopy using partial least squares, Bayesian regression, and artificial neural network models9
Multimodal Stacked Modeling for Simultaneous Detection of Nutrient Concentrations With Turbidity Correction9
ATR‐FTIR spectroscopy and chemometric complexity: unfolding the intra‐skeleton variability8
Multi‐Block Chemometric Approaches to the Unsupervised Spectral Characterization of Geological Samples8
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Optimization total phenolic content and antioxidant activity of Saccocalyx satureioides extracts obtained by ultrasonic‐assisted extraction8
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Ginseng Seed Variety Identification Based on Hyperspectral Imaging Technology and Transfer Learning8
Assessment of Conformal Prediction and Standard Normal Distribution for Autonomous Consensus One‐Class Classification8
Comparison Between Portable and Bench‐Top Near‐Infrared Spectroscopy for Corn Silage Characterization Using Partial Least Square and Support Vector Regression Methods8
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Planetary and space science special issue7
Three‐Way Data Reduction Based on Essential Information7
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 F7
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Robust Multiplicative Scatter Correction Using Quantile Regression7
A data‐driven soft sensor based on weighted probabilistic slow feature analysis for nonlinear dynamic chemical processes7
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Foreword for Special Issue Devoted to the 14th Winter Symposium on Chemometrics (2024)7
Benchtop NIR data standardization on handheld spectrometers to identify paracetamol tablets7
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
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
Determination of active ingredients in alcohol‐based gel by spectroscopic techniques and chemometric analysis6
Chemometrics Study to Understand the Interaction of Starch–Protein Mixtures and Food Texture6
Utilization of ultraviolet‐visible spectrophotometry in conjunction with wrapper method and correlated component regression for nitrite prediction outside the Beer–Lambert domain6
Two‐step hybrid modeling for variable selection and estimation: An application to quantitative structure activity relationship study6
Heavy metal content prediction based on Random Forest and Sparrow Search Algorithm6
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Chemometrics as a tool for monitoring corrosion degradation of the selected alloys in real conditions6
Spectral Wavelength Selection Method Based on Improved Particle Swarm Optimization Idea and Simulated Annealing Strategy6
Efficient Wavelength Selection for Limited Near‐Infrared Spectral Data via Genetic Algorithm and Hybrid Regression6
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A reliable algorithm for calculating stoichiometry parameters in the hard modeling of spectrophotometric titration data5
A synthetic review of some recent extensions of ComDim5
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Resampling as a Robust Measure of Model Complexity in PARAFAC Models5
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A Novel One‐Class Convolutional Autoencoder Combined With Excitation–Emission Matrix Fluorescence Spectroscopy for Authenticity Identification of Food5
Cell Culture Media and Raman Spectra Preprocessing Procedures Impact Glucose Chemometrics5
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Detection of skin defects in loquats based on grayscale features combined with reflectance, absorbance, and Kubelka–Munk spectra5
Adaptive soft sensor modeling of chemical processes based on an improved just‐in‐time learning and random mapping partial least squares5
Feature Variable Selection for Near‐Infrared Spectroscopy Based on Simulated Annealing Bee Colony Algorithm4
Quantitative Structure–Activity Relationship Modeling Based on Improving Kernel Ridge Regression4
Data‐analysis method for material optimization by forecasting long‐term chemical stability4
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Origin of the OECD Principles for QSAR Validation and Their Role in Changing the QSAR Paradigm Worldwide: An Historical Overview4
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Can One Recover the Underlying Spectral Data Matrix From a Given Borgen Plot?4
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Characterisation of Position‐Dependant Ripening Dynamics of Nectarines Using Near‐Infrared Spectroscopy and ASCA4
Past, Present and Future of Research in Analytical Figures of Merit4
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Accurate and Rational Collision Cross Section Prediction Using Voxel‐Projected Area and Deep Learning4
Developing Digital Twin Visualizations: A Methodology and Case Study on Chemical Separation Processing3
Unlocking New Capabilities in the Analysis of GC × GC‐TOFMS Data With Shift‐Invariant Multi‐Linearity3
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Optimized extraction of Pb (II) and Co (II) with glycolamide mono and di‐ionic liquids using response surface methodology3
XAI‐2DCOS: Enhancing Interpretability in Spectral Deep Learning Models Through 2D Correlation Spectroscopy3
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A brief note on a new faster covariate's selection (fCovSel) algorithm3
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Automatic peak annotation and area estimation of glycan map peaks directly from chromatograms3
On the Replicability of the Thermodynamic Modeling of Spectroscopic Titration Data in the Nickel(II) En System3
An antioxidative potential‐based comparison of different peanut extraction methods, optimized through response surface methodology3
Toward more efficient and effective color quality control for the large‐scale offset printing process3
Expanding the Chemometric Data Analysis Toolbox With Immersive Analytics3
Sample selection method using near‐infrared spectral information entropy as similarity criterion for constructing and updating peach firmness and soluble solids content prediction models3
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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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limpca: An R package for the linear modeling of high‐dimensional designed data based on ASCA/APCA family of methods3
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Partial least squares regression with multiple domains3
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Introduction to statistical, algorithmic and theoretical basis of principal components analysis3
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Performance enhancement‐based active learning sample selection method3
A dynamic sample augmentation Kriging metamodeling method for industrial residue hydrogenation process3
Iterative re‐weighted covariates selection for robust feature selection modelling in the presence of outliers (irCovSel)3
A tutorial on the analysis of multifactorial designs from one or more data sources using AComDim3
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