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 2021-02-01 to 2025-02-01.)
ArticleCitations
Introduction to Bayesian methods34
Estimating the reliability of predictions in locally weighted partial least‐squares modeling21
Principal component regression that minimizes the sum of the squares of the relative errors: Application in multivariate calibration models21
Structured discriminative Gaussian graph learning for multimode process monitoring16
Semi‐quantification of binary saline solutions by Raman spectroscopy: Implications for Europa12
An Alignment‐Agnostic Methodology for the Analysis of Designed Separations Data12
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Determination of metal contents in aromatic herbs and spices from Algeria: Chemometric approach11
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The difference of model robustness assessment using cross‐validation and bootstrap methods11
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lrSVD: An efficient imputation algorithm for incomplete high‐throughput compositional data9
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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 chemistry8
Just‐in‐time latent autoregressive residual generation for dynamic process monitoring7
H‐type indices with applications in chemometrics II: h‐outlyingness index7
Comparative study using design experiment to assess an anionic dye degradation in aqueous solution through the application of different advanced oxidation processes7
Who is winning? A comparison of humans versus computers for calibration model building7
H‐type indices with applications in chemometrics I: h‐multiple similarity index7
Editorial7
Data‐analysis method for material optimization by forecasting long‐term chemical stability7
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Detection the internal quality of watermelon seeds based on terahertz imaging technology combined with image smoothing and enhancement algorithm6
Classification of forensic hyperspectral paper data using hybrid spectral similarity algorithms5
Roadmap for outlier detection in univariate linear calibration in analytical chemistry: Tutorial review5
Omega‐3 Marine Fatty Acid Supplementation to Healthy Subjects Interacts With Moderate Physical Activity to Provide a Cardiovascular Healthier Lipoprotein Subclass Profile5
Chemometrics: A Vital Implement for Understanding the Water Structures by Near‐Infrared Spectroscopy5
Application of ultramicrotomy and infrared imaging to the forensic examination of automotive paint5
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Shift‐invariant tri‐linearity—A new model for resolving untargeted gas chromatography coupled mass spectrometry data5
Dual‐constrained and primal‐constrained principal component analysis5
Detection storage time of mangoes after mild bruise based on hyperspectral imaging combined with deep learning5
Adjusted Pareto Scaling for Multivariate Calibration Models4
Influence diagnostics in the inverse Gaussian ridge regression model: Applications in chemometrics4
Data point importance: Information ranking in multivariate data4
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The canonical partial least squares approach to analysing multiway datasets—N‐CPLS4
A prediction model of nonclassical secreted protein based on deep learning4
Past, Present and Future of Research in Analytical Figures of Merit4
Response surface experimental design for simultaneous chromatographic determination of two antiviral agents “Favipiravir and Remdesivir” in pharmaceuticals and spiked plasma samples4
Investigation of the Physiological and Post‐training Effects of Ecdysteroid Supplementation by Multivariate Analysis of the Human Serum Metabolome4
Ensemble classification and regression techniques combined with portable near infrared spectroscopy for facile and rapid detection of water adulteration in bovine raw milk3
Chemometric Classification of Motor Oils Using 1H NMR Spectroscopy With Simultaneous Phase and Baseline Optimization3
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Predicting pectin performance strength using near‐infrared spectroscopic data: A comparative evaluation of 1‐D convolutional neural network, partial least squares, and ridge regression modeling3
Principal components analysis with several objects and variables3
A comprehensive tutorial on data‐driven SIMCA: Theory and implementation in web3
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Partial least median of squares regression3
Minimum Spanning Tree‐Based Clustering for Chemical Evaluation of Commercial Nail Polish Samples Using Spectroanalytical Data3
Robust Multivariate Dispersion Charts for Quality Control: Application to Sulfur Dioxide Monitoring3
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Application of principal component analysis‐multivariate adaptive regression splines for the determination of surface area in zeolites3
Detection of talcum powder content in wheat flour by near infrared spectroscopy based on multilevel feature selection3
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Empirical and statistical p values and Type 1 error rates: Putting it all together2
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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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Mid‐infrared spectroscopy study of aqueous solution of ethylene glycol using chemometrics analysis and two‐dimensional correlation spectroscopy2
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Visualization of confusion matrices with network graphs2
Generating realistic infrared spectra using artificial neural networks2
Detection and prediction of active ingredients in fingerprints of traditional Chinese medicine from a high‐dimensional perspective2
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Introduction to statistical, algorithmic and theoretical basis of principal components analysis2
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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
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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 2
Teach Chemometrics in short course format2
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On the signal contribution function with respect to different norms1
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
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A novel two‐phase near‐infrared and midinfrared wavelength selection framework for sample classification1
Alternative weighting schemes for fine‐tuned extended similarity indices1
SFMD‐X: A New Functional Data Classifier Based on Shrinkage Functional Mahalanobis Distance1
Testing differences in predictive ability: A tutorial1
An efficient and accurate numerical determination of the cluster resolution metric in two dimensions1
Sparse Multiple Factor Analysis, sparse STATIS, and sparse DiSTATIS with applications to sensory evaluation1
Principal balances of compositional data for regression and classification using partial least squares1
Principal Component Analysis: Standardisation1
Combining computer vision and deep learning to classify varieties of Prunus dulcis for the nursery plant industry1
In honour of Edmund R. Malinowski1
Noise simulation in classification with the noisemodel R package: Applications analyzing the impact of errors with chemical data1
A systematic study on the effect of different error structures on pseudo‐univariate and multivariate figures of merit1
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Chemical identification of microfossils from the 1.88‐Ga Gunflint chert: Towards empirical biosignatures using laser ablation ionization mass spectrometer1
Analytical Figures of Merit in Univariate, Multivariate, and Multiway Calibration: What Have We Learned? What Do We Still Need to Learn?1
Decomposition of multi‐component fluorescence spectra by narrow peak method based on principal component analysis1
A Non‐Linear Model for Multiple Alcohol Intakes and Optimal Designs Strategies1
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Experimental design optimization and isotherm modeling for removal of copper(II) by calcium‐terephthalate MOF synthesized from recycled PET waste1
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Monitoring a Coffee Roasting Process Based on Near‐Infrared and Raman Spectroscopy Coupled With Chemometrics1
Evaluation of Annual Storage on Online Released Compounds in Artemisia argyi Smoke With GC‐MS‐Based Untargeted Metabolomics Coupled With Chemometric Method of AntDAS‐GCMS1
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Can Angle Measures Be Useful in MCR Analyses?1
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Dynamic Multiblock Regression for Process Modelling1
Toward more efficient and effective color quality control for the large‐scale offset printing process1
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Optimization of ultrasonic‐assisted extraction and purification of flavonoids with biological activities from Ficus Pumila L.1
Sample selection method using near‐infrared spectral information entropy as similarity criterion for constructing and updating peach firmness and soluble solids content prediction models1
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Modeling and optimization of malondialdehyde (MDA) absorbance behavior through response surface methodology (RSM) and artificial intelligence network (AIN): An endeavor to estimate lipid peroxidation 1
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