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 2020-04-01 to 2024-04-01.)
ArticleCitations
Preprocessing methods for near‐infrared spectrum calibration53
PhotoMetrix and colorimetric image analysis using smartphones33
Popular decision rules in SIMCA: Critical review32
Machine learning in prediction of intrinsic aqueous solubility of drug‐like compounds: Generalization, complexity, or predictive ability?27
Chemometrics‐assisted color histogram‐based analytical systems24
Deep chemometrics: Validation and transfer of a global deep near‐infrared fruit model to use it on a new portable instrument20
N‐BANDS: A new algorithm for estimating the extension of feasible bands in multivariate curve resolution of multicomponent systems in the presence of noise and rotational ambiguity17
Improving Harris hawks optimization algorithm for hyperparameters estimation and feature selection in v‐support vector regression based on opposition‐based learning17
Interpretation of chemical data from glass analysis for forensic purposes14
A Liu estimator for the beta regression model and its application to chemical data14
Variable selection in support vector regression using angular search algorithm and variance inflation factor14
Relevant and irrelevant predictors in PLS214
Multivariate curve resolution of multiway data using the multilinearity constraint13
On the possible benefits of deep learning for spectral preprocessing12
Laser‐induced breakdown spectroscopy applied to the rapid identification of different types of polyethylene used for toy manufacturing12
Applications of mixture experiments for response surface methodology implementation in analytical methods development12
Predicting pectin performance strength using near‐infrared spectroscopic data: A comparative evaluation of 1‐D convolutional neural network, partial least squares, and ridge regression modeling11
Predicting molecular activity on nuclear receptors by multitask neural networks11
A robust functional partial least squares for scalar‐on‐multiple‐function regression10
A chemometrician's guide to transfer learning10
Experimental design optimization and isotherm modeling for removal of copper(II) by calcium‐terephthalate MOF synthesized from recycled PET waste10
A general rule for uniqueness in self‐modeling curve resolution methods9
Analytic formulas of peak current in cyclic voltammogram: Machine learning as an alternative way?9
Graph‐based calibration transfer9
Sequential and orthogonalized PLS (SO‐PLS) regression for path analysis: Order of blocks and relations between effects9
A comparison between Box–Behnken design and artificial neural network: Modeling of removal of Phenol Red from water solutions by nanocobalt hydroxide9
Investigating challenges with scattering and inner filter effects in front‐face fluorescence by PARAFAC8
P values and Ronald Fisher8
Contingency tables, confusion matrices, classifiers and quality of prediction8
A chemometric approach to compare Portuguese native hops with worldwide commercial varieties8
Laser‐induced breakdown spectroscopy and chemometric analysis of black toners for forensic applications8
Rapid quantification of constituents in tobacco by NIR fiber‐optic probe8
A chemometrician's guide to transfer learning7
Chemometry‐assisted UV‐spectrophotmetric methods for the simultaneous determination of paritaprevir, ritonavir, and ombitasvir in their combined tablet dosage forms: A comparative study7
Mixture analysis using non‐negative elastic net for Raman spectroscopy7
IQR CUSUM charts: An efficient approach for monitoring variations in aquatic toxicity7
Envelopes: A new chapter in partial least squares regression7
Estimating the reliability of predictions in locally weighted partial least‐squares modeling7
Model selection challenges with application to multivariate calibration updating methods7
Artificial intelligence‐based multiobjective optimization of reverse osmosis desalination pretreatment using a hybrid ZnO‐immobilized/photo‐Fenton process7
Influence diagnostics in the inverse Gaussian ridge regression model: Applications in chemometrics7
Multisource information fusion strategies of mass spectrometry and Fourier transform infrared spectroscopy data for authenticating the age and parts of Vietnamese ginseng6
Simple and fast spectrophotometric method based on chemometrics for the measurement of multicomponent adsorption kinetics6
The canonical partial least squares approach to analysing multiway datasets—N‐CPLS6
Exploring local spatial features in hyperspectral images6
Heavy metal content prediction based on Random Forest and Sparrow Search Algorithm6
Near‐infrared multivariate model transfer for quantification of different hydrogen bonding species in aqueous systems6
Envelopes: A new chapter in partial least squares regression6
Chemical identification of microfossils from the 1.88‐Ga Gunflint chert: Towards empirical biosignatures using laser ablation ionization mass spectrometer6
Performance of smoothly clipped absolute deviation as a variable selection method in the artificial neural network‐based QSAR studies6
Graphical introduction to principal components analysis6
Principal components analysis with several objects and variables6
A comparative performance of machine learning algorithms on laser‐induced breakdown spectroscopy data of minerals5
Optimization total phenolic content and antioxidant activity of Saccocalyx satureioides extracts obtained by ultrasonic‐assisted extraction5
Divide et impera: How disentangling common and distinctive variability in multiset data analysis can aid industrial process troubleshooting and understanding5
Extraction of information about structural changes in a semisolid pharmaceutical formulation from near‐infrared and Raman images by multivariate curve resolution–alternating least squares and ComDim5
Pattern recognition: An effective tool for quality assessment of herbal medicine based on chemical information5
An efficient and accurate numerical determination of the cluster resolution metric in two dimensions5
Liu regression after random forest for prediction and modeling in high dimension5
A pilot study on parallel factor analysis as a diagnostic tool for oral cancer diagnosis: A statistical modeling approach5
NanoMetrix: An app for chemometric analysis from near infrared spectra5
Chemosensory aerosol assessment of key attributes for tobacco products4
Dimensionality reduction of multielement glass evidence to calculate likelihood ratios4
Monte Carlo methods for estimating Mallows's Cp and AIC criteria for PLSR models. Illustration on agronomic spectroscopic NIR data4
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 4
Comparative study between Partial Least Squares and Rational function Ridge Regression models for the prediction of moisture content of woodchip samples using a handheld spectrophotometer4
Traceability of soybeans produced in Argentina based on their trace element profiles4
Numerical introduction to principal components analysis4
Application of infrared microscopy and alternating least squares to the forensic analysis of automotive paint chips4
Classification of forensic hyperspectral paper data using hybrid spectral similarity algorithms4
End‐to‐end analysis modeling of vibrational spectroscopy based on deep learning approach4
A data‐driven soft sensor based on weighted probabilistic slow feature analysis for nonlinear dynamic chemical processes4
Correction of overlapping peaks of Pb and As spectrum based on a chaotic particle swarm optimization–Gaussian mixture statistical model4
Sparse common and distinctive covariates regression4
Three‐way clustering around latent variables approach with constraints on the configurations to facilitate interpretation4
Artificial neural network (ANN) modeling for simultaneous removal of a binary mixture of Pb(II) and Cu(II) by cobalt hydroxide nano‐flakes3
Decomposition of multi‐component fluorescence spectra by narrow peak method based on principal component analysis3
limpca: An R package for the linear modeling of high‐dimensional designed data based on ASCA/APCA family of methods3
Model selection techniques for sparse weight‐based principal component analysis3
A new concept based on ensemble strategy and derivative for the quantitative analysis of infrared data3
Modelling of the adsorption of urea herbicides by tropical soils with an Adaptive‐Neural‐based Fuzzy Inference System3
Ensemble classification and regression techniques combined with portable near infrared spectroscopy for facile and rapid detection of water adulteration in bovine raw milk3
False discovery rates, power and related concepts3
Detection of skin defects in loquats based on grayscale features combined with reflectance, absorbance, and Kubelka–Munk spectra3
Classification of urban soils for forensic purposes using supervised self‐organizing maps3
Generalized simultaneous component analysis of binary and quantitative data3
Diagnosing indirect relationships in multivariate calibration models3
Multivariate calibration: Identification of phenolic compounds in PROPOLIS using FT‐NIR3
Noise simulation in classification with the noisemodel R package: Applications analyzing the impact of errors with chemical data3
Determination of metal contents in aromatic herbs and spices from Algeria: Chemometric approach3
Evaluation of multiple linear regression applied to impedimetric sensing3
Modeling and optimization of phycoremediation of heavy metals from simulated ash pond water through robust hybrid artificial intelligence approach3
Application of response surface methodology for optimization of ultrasound‐assisted solid‐liquid extraction of phenolic compounds from Cenostigma macrophyllum3
Permutation tests for ASCA in multivariate longitudinal intervention studies3
Support vector regression that takes into consideration the importance of explanatory variables3
An algorithm for robust multiblock partial least squares predictive modelling3
Visualization of confusion matrices with network graphs3
Data point importance: Information ranking in multivariate data3
Model precision in partial least squares with discriminant analysis: A case study in document forgery through crossing lines3
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