OOIR: Observatory of International Research

Papers

(The TQCC of Journal of Chemometrics is 2. 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 2020-11-01 to 2024-11-01.)

Article	Citations
Machine learning in prediction of intrinsic aqueous solubility of drug‐like compounds: Generalization, complexity, or predictive ability?	34
Deep chemometrics: Validation and transfer of a global deep near‐infrared fruit model to use it on a new portable instrument	21
On the possible benefits of deep learning for spectral preprocessing	21
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 ambiguity	18
Contingency tables, confusion matrices, classifiers and quality of prediction	14
Experimental design optimization and isotherm modeling for removal of copper(II) by calcium‐terephthalate MOF synthesized from recycled PET waste	12
Predicting pectin performance strength using near‐infrared spectroscopic data: A comparative evaluation of 1‐D convolutional neural network, partial least squares, and ridge regression modeling	12
Predicting molecular activity on nuclear receptors by multitask neural networks	12
A robust functional partial least squares for scalar‐on‐multiple‐function regression	11
A chemometrician's guide to transfer learning	11
Ensemble classification and regression techniques combined with portable near infrared spectroscopy for facile and rapid detection of water adulteration in bovine raw milk	11
Heavy metal content prediction based on Random Forest and Sparrow Search Algorithm	10
Artificial intelligence‐based multiobjective optimization of reverse osmosis desalination pretreatment using a hybrid ZnO‐immobilized/photo‐Fenton process	10
Analytic formulas of peak current in cyclic voltammogram: Machine learning as an alternative way?	10
Estimating the reliability of predictions in locally weighted partial least‐squares modeling	10
Graph‐based calibration transfer	9
Chemical identification of microfossils from the 1.88‐Ga Gunflint chert: Towards empirical biosignatures using laser ablation ionization mass spectrometer	9
Laser‐induced breakdown spectroscopy and chemometric analysis of black toners for forensic applications	9
A chemometrician's guide to transfer learning	9
Chemometry‐assisted UV‐spectrophotmetric methods for the simultaneous determination of paritaprevir, ritonavir, and ombitasvir in their combined tablet dosage forms: A comparative study	8
IQR CUSUM charts: An efficient approach for monitoring variations in aquatic toxicity	7
Graphical introduction to principal components analysis	7
Liu regression after random forest for prediction and modeling in high dimension	7
Principal components analysis with several objects and variables	7
Numerical introduction to principal components analysis	7

Influence diagnostics in the inverse Gaussian ridge regression model: Applications in chemometrics	7
Optimization total phenolic content and antioxidant activity of Saccocalyx satureioides extracts obtained by ultrasonic‐assisted extraction	6
Performance of smoothly clipped absolute deviation as a variable selection method in the artificial neural network‐based QSAR studies	6
An efficient and accurate numerical determination of the cluster resolution metric in two dimensions	6
Permutation tests for ASCA in multivariate longitudinal intervention studies	6
The canonical partial least squares approach to analysing multiway datasets—N‐CPLS	6
Multisource information fusion strategies of mass spectrometry and Fourier transform infrared spectroscopy data for authenticating the age and parts of Vietnamese ginseng	6
A reliable algorithm for calculating stoichiometry parameters in the hard modeling of spectrophotometric titration data	5
A data‐driven soft sensor based on weighted probabilistic slow feature analysis for nonlinear dynamic chemical processes	5
An algorithm for robust multiblock partial least squares predictive modelling	5
Shift‐invariant tri‐linearity—A new model for resolving untargeted gas chromatography coupled mass spectrometry data	5
limpca: An R package for the linear modeling of high‐dimensional designed data based on ASCA/APCA family of methods	5
A comparative performance of machine learning algorithms on laser‐induced breakdown spectroscopy data of minerals	5
Noise simulation in classification with the noisemodel R package: Applications analyzing the impact of errors with chemical data	5
Data point importance: Information ranking in multivariate data	5
Modeling and optimization of phycoremediation of heavy metals from simulated ash pond water through robust hybrid artificial intelligence approach	5
Pattern recognition: An effective tool for quality assessment of herbal medicine based on chemical information	5
A pilot study on parallel factor analysis as a diagnostic tool for oral cancer diagnosis: A statistical modeling approach	5
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	5
Artificial neural network (ANN) modeling for simultaneous removal of a binary mixture of Pb(II) and Cu(II) by cobalt hydroxide nano‐flakes	4
Iterative re‐weighted covariates selection for robust feature selection modelling in the presence of outliers (irCovSel)	4
Monte Carlo methods for estimating Mallows's Cp and AIC criteria for PLSR models. Illustration on agronomic spectroscopic NIR data	4
Visualization of confusion matrices with network graphs	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 spectrophotometer	4
Methodology adjusting for least squares regression slope in the application of multiplicative scatter correction to near‐infrared spectra of forage feed samples	4
Authentication of edible oils using an infrared spectral library and digital sample sets: A feasibility study	4
Modelling of the adsorption of urea herbicides by tropical soils with an Adaptive‐Neural‐based Fuzzy Inference System	4
Classification of forensic hyperspectral paper data using hybrid spectral similarity algorithms	4
Detection of skin defects in loquats based on grayscale features combined with reflectance, absorbance, and Kubelka–Munk spectra	4
A new concept based on ensemble strategy and derivative for the quantitative analysis of infrared data	4
Support vector regression that takes into consideration the importance of explanatory variables	4
Generalized simultaneous component analysis of binary and quantitative data	4
On the area of feasible solutions for rank‐deficient problems: I. Introduction of a generalized concept	3
Determination of metal contents in aromatic herbs and spices from Algeria: Chemometric approach	3
Teaching chemometrics in short course format	3
Automatic food and beverage authentication and adulteration detection by classification hybrid fusion	3
Is core consistency a too conservative diagnostic?	3
Partial least squares regression with multiple domains	3
Research progress on the application of hyperspectral imaging techniques in tea science	3
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 neural	3
Automatic pretreatment and multiblock analysis of flavor release and sensory temporal data simultaneously collected in vivo	3
On a black hole effect in bilinear curve resolution based on least squares	3
Diagnosing indirect relationships in multivariate calibration models	3
Performance enhancement‐based active learning sample selection method	3
Modeling and optimization of malondialdehyde (MDA) absorbance behavior through response surface methodology (RSM) and artificial intelligence network (AIN): An endeavor to estimate lipid peroxidation	3
Partial least median of squares regression	3
On properties of EFA plots	3
ResNet models for rapid identification of species and geographical origin of wild boletes from Yunnan, and MaxEnt model for delineation of potential distribution	3
Classification of urban soils for forensic purposes using supervised self‐organizing maps	3
Raman spectroscopy and multivariate analysis for identification and classification of pharmaceutical pain reliever tablets	3

Decomposition of multi‐component fluorescence spectra by narrow peak method based on principal component analysis	3
ATR‐FTIR spectroscopy and chemometric complexity: unfolding the intra‐skeleton variability	2
Decomposition of overlapping peaks in X‐ray fluorescence using improved crow searching algorithm based on opposite learning	2
Plasma spectroscopy + chemometrics: An ideal approach for the spectrochemical analysis of iron phosphate glass samples	2
Comparison of partial least squares‐discriminant analysis and soft independent modeling of class analogy methods for classification of Saccharomyces cerevisiae cells based on mid‐inf	2
Sample selection method using near‐infrared spectral information entropy as similarity criterion for constructing and updating peach firmness and soluble solids content prediction models	2
Determination of ingredients in packaged pharmaceutical tablets by energy dispersive X‐ray diffraction and maximum likelihood principal component analysis multivariate curve resolution‐alternating lea	2
The difference of model robustness assessment using cross‐validation and bootstrap methods	2
Application of chemometrics on Raman spectra from Mars: Recent advances and future perspectives	2
Chemometrics in forensic science	2
Polymorph identification in green Chinese architectural paints using Raman imaging and multivariate curve resolution	2
A brief note on a new faster covariate's selection (fCovSel) algorithm	2
Automatic hierarchical model builder	2
Optimized extraction of Pb (II) and Co (II) with glycolamide mono and di‐ionic liquids using response surface methodology	2
Varietal quality control in the nursery plant industry using computer vision and deep learning techniques	2
Application of ultramicrotomy and infrared imaging to the forensic examination of automotive paint	2
	2
Semi‐quantification of binary saline solutions by Raman spectroscopy: Implications for Europa	2
Efficiently handling high‐dimensional data from multifactorial designs with unequal group sizes using Rebalanced ASCA (RASCA)	2
Selection of principal variables through a modified Gram–Schmidt process with and without supervision	2
An end‐to‐end deep learning approach for Raman spectroscopy classification	2
Weighted multivariate curve resolution—Alternating least squares based on sample relevance	2
A tutorial on the analysis of multifactorial designs from one or more data sources using AComDim	2
Swiss knife covariates selection: A unified algorithm for covariates selection in single block, multiblock, multiway, multiway multiblock cases including multiple responses	2
Introduction to statistical, algorithmic and theoretical basis of principal components analysis	2
Methodologies based on ASCA to elucidate the influence of a subprocess: Vinification as a case of study	2
Dual‐constrained and primal‐constrained principal component analysis	2
Variable selection by permutation applied in support vector regression models	2
Ink source prediction and assessment based on direct analysis in real‐time mass spectrometry via the likelihood ratio	2
Chromatographic method development for simultaneous determination of serotonin, melatonin, and L‐tryptophan: Mass transfer modeling, chromatographic separation factors, and method prediction by artifi	2