Journal of Chemometrics

Papers
(The TQCC of Journal of Chemometrics is 1. 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 2021-04-01 to 2025-04-01.)
ArticleCitations
Introduction to Bayesian methods34
Estimating the reliability of predictions in locally weighted partial least‐squares modeling23
Structured discriminative Gaussian graph learning for multimode process monitoring21
Semi‐quantification of binary saline solutions by Raman spectroscopy: Implications for Europa18
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lrSVD: An efficient imputation algorithm for incomplete high‐throughput compositional data13
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Two new methods for the estimation and interpretation of the range of feasible profiles in multivariate curve resolution and their implications to analytical chemistry12
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Determination of metal contents in aromatic herbs and spices from Algeria: Chemometric approach11
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H‐type indices with applications in chemometrics I: h‐multiple similarity index8
Just‐in‐time latent autoregressive residual generation for dynamic process monitoring7
Roadmap for outlier detection in univariate linear calibration in analytical chemistry: Tutorial review7
Data‐analysis method for material optimization by forecasting long‐term chemical stability7
H‐type indices with applications in chemometrics II: h‐outlyingness index7
Editorial7
Who is winning? A comparison of humans versus computers for calibration model building7
Comparative study using design experiment to assess an anionic dye degradation in aqueous solution through the application of different advanced oxidation processes7
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Dual‐constrained and primal‐constrained principal component analysis5
Detection storage time of mangoes after mild bruise based on hyperspectral imaging combined with deep learning5
Robust Multivariate Dispersion Charts for Quality Control: Application to Sulfur Dioxide Monitoring5
An Alignment‐Agnostic Methodology for the Analysis of Designed Separations Data5
Application of ultramicrotomy and infrared imaging to the forensic examination of automotive paint5
Investigation of the Physiological and Post‐training Effects of Ecdysteroid Supplementation by Multivariate Analysis of the Human Serum Metabolome5
Determination of Halitosis by Exhaled Breath Analysis Using Semiconductor Metal Oxide Sensors and Chemometric Methods5
A comprehensive tutorial on data‐driven SIMCA: Theory and implementation in web5
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Detection the internal quality of watermelon seeds based on terahertz imaging technology combined with image smoothing and enhancement algorithm5
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Classification of forensic hyperspectral paper data using hybrid spectral similarity algorithms4
Omega‐3 Marine Fatty Acid Supplementation to Healthy Subjects Interacts With Moderate Physical Activity to Provide a Cardiovascular Healthier Lipoprotein Subclass Profile4
Data point importance: Information ranking in multivariate data4
Shift‐invariant tri‐linearity—A new model for resolving untargeted gas chromatography coupled mass spectrometry data4
The canonical partial least squares approach to analysing multiway datasets—N‐CPLS4
Adjusted Pareto Scaling for Multivariate Calibration Models4
Chemometrics: A Vital Implement for Understanding the Water Structures by Near‐Infrared Spectroscopy4
A prediction model of nonclassical secreted protein based on deep learning4
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Principal components analysis with several objects and variables3
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Application of principal component analysis‐multivariate adaptive regression splines for the determination of surface area in zeolites3
Past, Present and Future of Research in Analytical Figures of Merit3
Minimum Spanning Tree‐Based Clustering for Chemical Evaluation of Commercial Nail Polish Samples Using Spectroanalytical Data3
The difference of model robustness assessment using cross‐validation and bootstrap methods3
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Can One Recover the Underlying Spectral Data Matrix From a Given Borgen Plot?3
Partial least median of squares regression3
Chemometric Classification of Motor Oils Using 1H NMR Spectroscopy With Simultaneous Phase and Baseline Optimization3
Response surface experimental design for simultaneous chromatographic determination of two antiviral agents “Favipiravir and Remdesivir” in pharmaceuticals and spiked plasma samples3
Detection of talcum powder content in wheat flour by near infrared spectroscopy based on multilevel feature selection3
Ensemble classification and regression techniques combined with portable near infrared spectroscopy for facile and rapid detection of water adulteration in bovine raw milk3
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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 novel two‐phase near‐infrared and midinfrared wavelength selection framework for sample classification2
Evaluation of Annual Storage on Online Released Compounds in Artemisia argyi Smoke With GC‐MS‐Based Untargeted Metabolomics Coupled With Chemometric Method of AntDAS‐GCMS2
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Assessing Classification Models of Pharmaceuticals With Conformal Prediction2
Optimized extraction of Pb (II) and Co (II) with glycolamide mono and di‐ionic liquids using response surface methodology2
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Detection and prediction of active ingredients in fingerprints of traditional Chinese medicine from a high‐dimensional perspective2
Modeling and optimization of malondialdehyde (MDA) absorbance behavior through response surface methodology (RSM) and artificial intelligence network (AIN): An endeavor to estimate lipid peroxidation 2
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Introduction to statistical, algorithmic and theoretical basis of principal components analysis2
A systematic study on the effect of different error structures on pseudo‐univariate and multivariate figures of merit2
In honour of Edmund R. Malinowski2
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Dedicated to Edmund R. Malinowski. Secondary, model‐based examination of model‐free analysis results: Making the most of soft‐modelling outcomes2
Multivariate classification models2
Generating realistic infrared spectra using artificial neural networks2
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Teach Chemometrics in short course format2
Empirical and statistical p values and Type 1 error rates: Putting it all together2
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A Non‐Linear Model for Multiple Alcohol Intakes and Optimal Designs Strategies1
Intelligent component detection of quaternary blended oil based on near infrared spectroscopy technology1
Data Augmentation and Fault Diagnosis for Imbalanced Industrial Process Data Based on Residual Wasserstein Generative Adversarial Network With Gradient Penalty1
Iterative re‐weighted multilinear partial least squares modelling for robust predictive modelling1
On the signal contribution function with respect to different norms1
Firefly Interval Selection Combined With Extreme Learning Machine for Spectral Quantification of Complex Samples1
Can Angle Measures Be Useful in MCR Analyses?1
Combining computer vision and deep learning to classify varieties of Prunus dulcis for the nursery plant industry1
Visualization of confusion matrices with network graphs1
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Mid‐infrared spectroscopy study of aqueous solution of ethylene glycol using chemometrics analysis and two‐dimensional correlation spectroscopy1
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Principal Component Analysis: Standardisation1
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Malt quality profile of barley predicted by near‐infrared spectroscopy using partial least squares, Bayesian regression, and artificial neural network models1
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A Simulation Study of the Effects of Additive, Multiplicative, Correlated, and Uncorrelated Errors on Principal Component Analysis1
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Dynamic Multiblock Regression for Process Modelling1
Predicting pectin performance strength using near‐infrared spectroscopic data: A comparative evaluation of 1‐D convolutional neural network, partial least squares, and ridge regression modeling1
Noise simulation in classification with the noisemodel R package: Applications analyzing the impact of errors with chemical data1
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Principal balances of compositional data for regression and classification using partial least squares1
Alternative weighting schemes for fine‐tuned extended similarity indices1
A novel eco‐friendly methods for simultaneous determination of aspirin, clopidogrel, and atorvastatin or rosuvastatin in their fixed‐dose combination using chemometric techniques and artificial neural1
Research progress on the application of hyperspectral imaging techniques in tea science1
Monitoring a Coffee Roasting Process Based on Near‐Infrared and Raman Spectroscopy Coupled With Chemometrics1
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Data fusion of multiple‐information strategy based on Fourier transform near infrared spectroscopy and Fourier‐transform mid infrared for geographical traceability of Wolfiporia cocos combined 1
Analytical Figures of Merit in Univariate, Multivariate, and Multiway Calibration: What Have We Learned? What Do We Still Need to Learn?1
On the Replicability of the Thermodynamic Modeling of Spectroscopic Titration Data in the Nickel(II) En System1
Industrial Process Fault Detection Based on IGA‐Combinatorial Model Decision Mechanism1
SFMD‐X: A New Functional Data Classifier Based on Shrinkage Functional Mahalanobis Distance1
Chemical identification of microfossils from the 1.88‐Ga Gunflint chert: Towards empirical biosignatures using laser ablation ionization mass spectrometer1
Experimental design optimization and isotherm modeling for removal of copper(II) by calcium‐terephthalate MOF synthesized from recycled PET waste1
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An efficient and accurate numerical determination of the cluster resolution metric in two dimensions1
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