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 2022-08-01 to 2026-08-01.)
ArticleCitations
Comprehensive Anomaly Score Rank Based Unsupervised Sample Selection Method50
Detection the internal quality of watermelon seeds based on terahertz imaging technology combined with image smoothing and enhancement algorithm40
Determination of metal contents in aromatic herbs and spices from Algeria: Chemometric approach24
Minimum Spanning Tree‐Based Clustering for Chemical Evaluation of Commercial Nail Polish Samples Using Spectroanalytical Data23
From Wet Chemistry to Portable NIR: Robust High‐Throughput Compositional Models for Biomass Pretreatment22
Partial Least Squares Scores22
Data point importance: Information ranking in multivariate data20
Chemometrics: A Vital Implement for Understanding the Water Structures by Near‐Infrared Spectroscopy19
Coverage‐Aware Calibration and Selective Classification for Drifted Gas‐Sensor Arrays: A Controlled Shift Simulation Benchmark With Longitudinal Evaluation19
Estimating Maize Canopy Nitrogen and Chlorophyll Content Using CNN‐GRU‐CBAM and Hyperspectral Imagery18
The difference of model robustness assessment using cross‐validation and bootstrap methods17
De Novo Design of HIV‐1 Integrase‐LEDGF/p75 Inhibitors Through Deep Reinforcement Learning and Virtual Screening14
Robust Multivariate Dispersion Charts for Quality Control: Application to Sulfur Dioxide Monitoring14
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Augmenting Near‐Infrared Spectral Data With Auxiliary Regression Generative Adversarial Network for Enhanced Prediction of Watermelon Soluble Solids Content12
Detection of talcum powder content in wheat flour by near infrared spectroscopy based on multilevel feature selection12
A novel two‐phase near‐infrared and midinfrared wavelength selection framework for sample classification12
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Supervised Restricted Data Fusion With Common, Local, and Distinct Components10
In‐Situ Detection of Microplastic Particles on Food Using Hyperspectral Imaging With One‐Dimensional Convolutional Neural Network and Artificial Neural Network10
Multi‐Block Chemometric Approaches to the Unsupervised Spectral Characterization of Geological Samples10
Principal Component Analysis: Standardisation10
Ginseng Seed Variety Identification Based on Hyperspectral Imaging Technology and Transfer Learning10
Comparison Between Portable and Bench‐Top Near‐Infrared Spectroscopy for Corn Silage Characterization Using Partial Least Square and Support Vector Regression Methods9
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Multimodal Stacked Modeling for Simultaneous Detection of Nutrient Concentrations With Turbidity Correction9
Characterising the Effect of Cultivar and Roasting Temperature on FT‐NIR Spectral Data of Wheat Using ASCA9
Alternative weighting schemes for fine‐tuned extended similarity indices9
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Assessment of Conformal Prediction and Standard Normal Distribution for Autonomous Consensus One‐Class Classification9
Correlation‐Weighted Dynamic Feature Fusion for Multiblock Regression (CW‐DFF‐MBR): A Generalized Framework for Advanced Chemometric Modelling8
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Planetary and space science special issue8
Chemometrics as a tool for monitoring corrosion degradation of the selected alloys in real conditions8
ATR‐FTIR spectroscopy and chemometric complexity: unfolding the intra‐skeleton variability8
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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 Molecules8
Malt quality profile of barley predicted by near‐infrared spectroscopy using partial least squares, Bayesian regression, and artificial neural network models8
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Fast Partition‐Based Cross‐Validation With Centering and Scaling for XTX$$ {\mathbf{X}}^{\mathbf{T}}\mathbf{X} $$ and XTY$$ {\mathbf{X}}^{\mathbf{T}}\mathbf{Y} $$8
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A data‐driven soft sensor based on weighted probabilistic slow feature analysis for nonlinear dynamic chemical processes7
Chemometrics Study to Understand the Interaction of Starch–Protein Mixtures and Food Texture7
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
Robust Multiplicative Scatter Correction Using Quantile Regression7
Utilization of ultraviolet‐visible spectrophotometry in conjunction with wrapper method and correlated component regression for nitrite prediction outside the Beer–Lambert domain7
Two‐step hybrid modeling for variable selection and estimation: An application to quantitative structure activity relationship study7
Spectral Wavelength Selection Method Based on Improved Particle Swarm Optimization Idea and Simulated Annealing Strategy7
Being Aware of Data Leakage and Cross‐Validation Scaling in Chemometric Model Validation7
Why Is the Peak Group Analysis So Effective for IR Spectra Analysis?7
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Heavy metal content prediction based on Random Forest and Sparrow Search Algorithm6
A Deep Learning Approach for OER Electrocatalyst Kinetics Prediction6
Application of an ECAM‐ConvNeXt Model With Multichannel Spectrogram Based on Vis–NIR for Soil Property Prediction6
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Resampling as a Robust Measure of Model Complexity in PARAFAC Models6
Efficient Wavelength Selection for Limited Near‐Infrared Spectral Data via Genetic Algorithm and Hybrid Regression6
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XR and Hybrid Data Visualization Spaces for Enhanced Data Analytics6
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Detection of skin defects in loquats based on grayscale features combined with reflectance, absorbance, and Kubelka–Munk spectra5
Feature Variable Selection for Near‐Infrared Spectroscopy Based on Simulated Annealing Bee Colony Algorithm5
Support Vector Machine Ensemble for Crude Oil Classification5
Characterisation of Position‐Dependant Ripening Dynamics of Nectarines Using Near‐Infrared Spectroscopy and ASCA5
Machine Learning for Raman Spectroscopy Glioblastoma Classification5
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Adaptive soft sensor modeling of chemical processes based on an improved just‐in‐time learning and random mapping partial least squares5
A synthetic review of some recent extensions of ComDim5
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Origin of the OECD Principles for QSAR Validation and Their Role in Changing the QSAR Paradigm Worldwide: An Historical Overview5
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A Novel One‐Class Convolutional Autoencoder Combined With Excitation–Emission Matrix Fluorescence Spectroscopy for Authenticity Identification of Food5
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Cell Culture Media and Raman Spectra Preprocessing Procedures Impact Glucose Chemometrics5
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Quantitative Structure–Activity Relationship Modeling Based on Improving Kernel Ridge Regression4
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Past, Present and Future of Research in Analytical Figures of Merit4
Multifactorial 1, 3, 4‐Oxadiazole Derivatives as Cholinesterase and Glycogen Synthase Kinase‐3 β Inhibitors for Targeting Alzheimer's Disease: QSAR‐Based4
A Spectral Matching Algorithm Based on the Wasserstein Metric4
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Accurate and Rational Collision Cross Section Prediction Using Voxel‐Projected Area and Deep Learning4
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Can One Recover the Underlying Spectral Data Matrix From a Given Borgen Plot?4
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The FTIR‐ATR Spectroscopy as a Biosensing Strategy for Thermal Effects in Permissibility Verification of Lard‐Adulterated Palm Oil4
Extended Multiplicative Signal Correction of Noisy Raman Spectra4
Partial least squares regression with multiple domains3
Supporting Process Analytical Technology in Pharmaceutical Manufacturing With Lean Chemometrics3
Volatile Gas Detection Based on Electronic Nose Combined With a Feature Complementary Calculation Network to Identify the Adulterated Peanuts3
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FTIR Spectral Prediction of Ionic Liquids Using a Novel Hybrid MARS–PLS2 Chemometric Framework3
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Novel Sexalinear Decomposition Algorithm for Analyzing the Chemical Sexalinear Data Array3
An antioxidative potential‐based comparison of different peanut extraction methods, optimized through response surface methodology3
Automatic peak annotation and area estimation of glycan map peaks directly from chromatograms3
Expanding the Chemometric Data Analysis Toolbox With Immersive Analytics3
Unlocking New Capabilities in the Analysis of GC × GC‐TOFMS Data With Shift‐Invariant Multi‐Linearity3
XAI‐2DCOS: Enhancing Interpretability in Spectral Deep Learning Models Through 2D Correlation Spectroscopy3
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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 models3
limpca: An R package for the linear modeling of high‐dimensional designed data based on ASCA/APCA family of methods3
Effect of Dough Yield, Flour Type and Fermentation Time on Sourdough Near‐Infrared Spectral Data With ANOVA–Simultaneous Component Analysis3
Conceptual Differences Between Hyperspectral Unmixing, PCA, and Clustering: A Practical Demonstration Using Single‐Cell Raman Imaging3
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 networks3
Toward more efficient and effective color quality control for the large‐scale offset printing process3
On the Replicability of the Thermodynamic Modeling of Spectroscopic Titration Data in the Nickel(II) En System3
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Semi‐Supervised Gaussian Mixture Regression With Gaussian Mixture Model Pretraining With Unlabeled Data3
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Developing Digital Twin Visualizations: A Methodology and Case Study on Chemical Separation Processing3
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