JOURNAL OF CHEMOMETRICS

Differentiation of stabilized nitrocellulose during artificial aging: Spectroscopy methods coupled with principal component analysis

Local partial least squares based on global PLS scores

End‐to‐end quantitative analysis modeling of near‐infrared spectroscopy based on convolutional neural network

Separating common (global and local) and distinct variation in multiple mixed types data sets

Quantum cascade laser back‐reflection spectroscopy at grazing‐angle incidence using the fast Fourier transform as a data preprocessing algorithm

A method for improvement of mass resolution and isotope accuracy for laser ablation time‐of‐flight mass spectrometers

Assorted control charts: An efficient statistical approach to monitor pH values in ecotoxicology lab

Statistical analysis and heuristic identification of unexpected interactions from the neurokinase‐inhibitor interactome in trigeminal neuralgia pharmacological intervention

A comparison of two PLS‐based approaches to structural equation modeling

Amplitude‐frequency images‐based ConvNet: Applications of fault detection and diagnosis in chemical processes

Comparison of validation variants by sum of ranking differences and ANOVA

Topological characteristics of iterated line graphs in QSAR problem: Octane numbers of saturated hydrocarbons

Orders of magnitude speed increase in partial least squares feature selection with new simple indexing technique for very tall data sets

Early detection of undesirable deviations in must fermentation using a portable FTIR‐ATR instrument and multivariate analysis

Fault detection method based on principal component difference associated with DPCA

Complete sets of descriptors for the prediction of 13C NMR chemical shifts of quinoline derivatives

Class‐specific variable selection in high‐dimensional discriminant analysis through Bayesian Sparsity

Hard modeling study of chemical equilibria in mixed solvents

Introduction to analysis of variance

Chemometric study of chromatographic and computational bioactivity parameters of diphenylacetamides

On the behaviour of permutation‐based variable importance measures in random forest clustering

Properly handling negative values in the calculation of binding constants by physicochemical modeling of spectroscopic titration data

HSPXY: A hybrid‐correlation and diversity‐distances based data partition method

Fault detection based on improved local entropy locality preserving projections in multimodal processes

Quality‐relevant dynamic process monitoring based on mutual information multiblock slow feature analysis

Comparison of two augmented classical least squares algorithms and PLS for determining nifuroxazide and its genotoxic impurities using UV spectroscopy

Chemometric approach to estimate kinetic properties of paclitaxel prodrugs and their substructures for solubility prediction through molecular modelling and simulation studies

Simultaneous determination of food colorants in liquid samples by UV‐Visible spectroscopy and multivariate data analysis using a reduced calibration matrix

Model‐based description of indicator displacement assay sensor arrays for quantitation of mixtures

Least absolute deviation estimator‐bridge variable selection and estimation for quantitative structure–activity relationship model

How F and P values are influenced by centring

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Detection of magnetic audio tape degradation with neural networks and Lasso

A predictive model for the time dependence of concentrations in plating baths

Chemometric study of kosmotropic and chaotropic ion properties related to Hofmeister effects

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Fault monitoring based on locally weighted probabilistic kernel partial least square for nonlinear time‐varying processes

Layered Bayesian nonparametric regression for DNA methylation rates

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Panelists bias matrix estimation in a red wine trained panel: A potential tool for data pre‐treatment and feedback calibration

Empirical performance of nonparametric regression over LRM and IGRM addressing influential observations

Model validation in dynamic systems for time‐course data with complex error structures

Application of partial least squares as a complementary and preliminary receptor model for source apportionment of ambient aerosol based on molecular organic markers