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 2021-06-01 to 2025-06-01.)
ArticleCitations
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Robust Multivariate Dispersion Charts for Quality Control: Application to Sulfur Dioxide Monitoring23
Chemometrics: A Vital Implement for Understanding the Water Structures by Near‐Infrared Spectroscopy16
Determination of metal contents in aromatic herbs and spices from Algeria: Chemometric approach16
H‐type indices with applications in chemometrics I: h‐multiple similarity index16
Data point importance: Information ranking in multivariate data15
Ensemble classification and regression techniques combined with portable near infrared spectroscopy for facile and rapid detection of water adulteration in bovine raw milk13
Detection the internal quality of watermelon seeds based on terahertz imaging technology combined with image smoothing and enhancement algorithm13
The difference of model robustness assessment using cross‐validation and bootstrap methods12
Comprehensive Anomaly Score Rank Based Unsupervised Sample Selection Method11
Minimum Spanning Tree‐Based Clustering for Chemical Evaluation of Commercial Nail Polish Samples Using Spectroanalytical Data10
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De Novo Design of HIV‐1 Integrase‐LEDGF/p75 Inhibitors Through Deep Reinforcement Learning and Virtual Screening9
A novel two‐phase near‐infrared and midinfrared wavelength selection framework for sample classification9
Detection of talcum powder content in wheat flour by near infrared spectroscopy based on multilevel feature selection9
Principal Component Analysis: Standardisation9
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Multi‐Block Chemometric Approaches to the Unsupervised Spectral Characterization of Geological Samples8
ATR‐FTIR spectroscopy and chemometric complexity: unfolding the intra‐skeleton variability8
Assessment of Conformal Prediction and Standard Normal Distribution for Autonomous Consensus One‐Class Classification8
Monte Carlo methods for estimating Mallows's Cp and AIC criteria for PLSR models. Illustration on agronomic spectroscopic NIR data8
Alternative weighting schemes for fine‐tuned extended similarity indices8
Multimodal Stacked Modeling for Simultaneous Detection of Nutrient Concentrations With Turbidity Correction8
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A chemometrician's guide to transfer learning7
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Malt quality profile of barley predicted by near‐infrared spectroscopy using partial least squares, Bayesian regression, and artificial neural network models7
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Optimization total phenolic content and antioxidant activity of Saccocalyx satureioides extracts obtained by ultrasonic‐assisted extraction7
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Benchtop NIR data standardization on handheld spectrometers to identify paracetamol tablets6
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3D Fluorescence Spectroscopy Combined With Chemometrics as a Tool for Control of Imprinted Protein Purification From Template Molecules6
Planetary and space science special issue6
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Fast Partition‐Based Cross‐Validation With Centering and Scaling for XTX$$ {\mathbf{X}}^{\mathbf{T}}\mathbf{X} $$ and XTY$$ {\mathbf{X}}^{\mathbf{T}}\mathbf{Y} $$6
Three‐Way Data Reduction Based on Essential Information5
Two‐step hybrid modeling for variable selection and estimation: An application to quantitative structure activity relationship study5
Foreword for Special Issue Devoted to the 14th Winter Symposium on Chemometrics (2024)5
Being Aware of Data Leakage and Cross‐Validation Scaling in Chemometric Model Validation5
A data‐driven soft sensor based on weighted probabilistic slow feature analysis for nonlinear dynamic chemical processes5
Robust Multiplicative Scatter Correction Using Quantile Regression5
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
Chemometrics as a tool for monitoring corrosion degradation of the selected alloys in real conditions5
Utilization of ultraviolet‐visible spectrophotometry in conjunction with wrapper method and correlated component regression for nitrite prediction outside the Beer–Lambert domain5
Resampling as a Robust Measure of Model Complexity in PARAFAC Models4
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Determination of active ingredients in alcohol‐based gel by spectroscopic techniques and chemometric analysis4
Detection of skin defects in loquats based on grayscale features combined with reflectance, absorbance, and Kubelka–Munk spectra4
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Heavy metal content prediction based on Random Forest and Sparrow Search Algorithm4
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A Novel One‐Class Convolutional Autoencoder Combined With Excitation–Emission Matrix Fluorescence Spectroscopy for Authenticity Identification of Food4
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Multisource information fusion strategies of mass spectrometry and Fourier transform infrared spectroscopy data for authenticating the age and parts of Vietnamese ginseng4
Efficient Wavelength Selection for Limited Near‐Infrared Spectral Data via Genetic Algorithm and Hybrid Regression4
Cell Culture Media and Raman Spectra Preprocessing Procedures Impact Glucose Chemometrics4
Adaptive soft sensor modeling of chemical processes based on an improved just‐in‐time learning and random mapping partial least squares4
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Data‐analysis method for material optimization by forecasting long‐term chemical stability3
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A reliable algorithm for calculating stoichiometry parameters in the hard modeling of spectrophotometric titration data3
Characterisation of Position‐Dependant Ripening Dynamics of Nectarines Using Near‐Infrared Spectroscopy and ASCA3
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Past, Present and Future of Research in Analytical Figures of Merit3
Who is winning? A comparison of humans versus computers for calibration model building3
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Decomposition of overlapping peaks in X‐ray fluorescence using improved crow searching algorithm based on opposite learning3
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A synthetic review of some recent extensions of ComDim3
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Can One Recover the Underlying Spectral Data Matrix From a Given Borgen Plot?3
Quantitative Structure–Activity Relationship Modeling Based on Improving Kernel Ridge Regression3
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Feature Variable Selection for Near‐Infrared Spectroscopy Based on Simulated Annealing Bee Colony Algorithm3
Origin of the OECD Principles for QSAR Validation and Their Role in Changing the QSAR Paradigm Worldwide: An Historical Overview3
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On the Replicability of the Thermodynamic Modeling of Spectroscopic Titration Data in the Nickel(II) En System2
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Optimized extraction of Pb (II) and Co (II) with glycolamide mono and di‐ionic liquids using response surface methodology2
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Toward more efficient and effective color quality control for the large‐scale offset printing process2
Automatic peak annotation and area estimation of glycan map peaks directly from chromatograms2
Image‐based characterization of flocculation processes through PLS inspired representation learning in convolutional neural networks2
An antioxidative potential‐based comparison of different peanut extraction methods, optimized through response surface methodology2
Unlocking New Capabilities in the Analysis of GC × GC‐TOFMS Data With Shift‐Invariant Multi‐Linearity2
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Experimental design optimization and isotherm modeling for removal of copper(II) by calcium‐terephthalate MOF synthesized from recycled PET waste2
Introduction to statistical, algorithmic and theoretical basis of principal components analysis2
A brief note on a new faster covariate's selection (fCovSel) algorithm2
Partial least squares regression with multiple domains2
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A tutorial on the analysis of multifactorial designs from one or more data sources using AComDim2
Iterative re‐weighted covariates selection for robust feature selection modelling in the presence of outliers (irCovSel)2
Diagnosing indirect relationships in multivariate calibration models2
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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 models2
A dynamic sample augmentation Kriging metamodeling method for industrial residue hydrogenation process2
Performance enhancement‐based active learning sample selection method2
limpca: An R package for the linear modeling of high‐dimensional designed data based on ASCA/APCA family of methods2
Comprehensive multivariate evaluation of the effects on cell phenotypes in multicolor flow cytometry data using ANOVA simultaneous component analysis2
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