OOIR: Observatory of International Research

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.)

Article	Citations
Preprocessing methods for near‐infrared spectrum calibration	53
PhotoMetrix and colorimetric image analysis using smartphones	33
Popular decision rules in SIMCA: Critical review	32
Machine learning in prediction of intrinsic aqueous solubility of drug‐like compounds: Generalization, complexity, or predictive ability?	27
Chemometrics‐assisted color histogram‐based analytical systems	24
Deep chemometrics: Validation and transfer of a global deep near‐infrared fruit model to use it on a new portable instrument	20
Improving Harris hawks optimization algorithm for hyperparameters estimation and feature selection in v‐support vector regression based on opposition‐based learning	17
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	17
Relevant and irrelevant predictors in PLS2	14
Interpretation of chemical data from glass analysis for forensic purposes	14
A Liu estimator for the beta regression model and its application to chemical data	14
Variable selection in support vector regression using angular search algorithm and variance inflation factor	14
Multivariate curve resolution of multiway data using the multilinearity constraint	13
Applications of mixture experiments for response surface methodology implementation in analytical methods development	12
On the possible benefits of deep learning for spectral preprocessing	12
Laser‐induced breakdown spectroscopy applied to the rapid identification of different types of polyethylene used for toy manufacturing	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	11
Predicting molecular activity on nuclear receptors by multitask neural networks	11
Experimental design optimization and isotherm modeling for removal of copper(II) by calcium‐terephthalate MOF synthesized from recycled PET waste	10
A robust functional partial least squares for scalar‐on‐multiple‐function regression	10
A chemometrician's guide to transfer learning	10
Sequential and orthogonalized PLS (SO‐PLS) regression for path analysis: Order of blocks and relations between effects	9
A comparison between Box–Behnken design and artificial neural network: Modeling of removal of Phenol Red from water solutions by nanocobalt hydroxide	9
A general rule for uniqueness in self‐modeling curve resolution methods	9
Analytic formulas of peak current in cyclic voltammogram: Machine learning as an alternative way?	9

Graph‐based calibration transfer	9
A chemometric approach to compare Portuguese native hops with worldwide commercial varieties	8
Laser‐induced breakdown spectroscopy and chemometric analysis of black toners for forensic applications	8
Rapid quantification of constituents in tobacco by NIR fiber‐optic probe	8
Investigating challenges with scattering and inner filter effects in front‐face fluorescence by PARAFAC	8
P values and Ronald Fisher	8
Contingency tables, confusion matrices, classifiers and quality of prediction	8
Model selection challenges with application to multivariate calibration updating methods	7
Artificial intelligence‐based multiobjective optimization of reverse osmosis desalination pretreatment using a hybrid ZnO‐immobilized/photo‐Fenton process	7
Influence diagnostics in the inverse Gaussian ridge regression model: Applications in chemometrics	7
A chemometrician's guide to transfer learning	7
Chemometry‐assisted UV‐spectrophotmetric methods for the simultaneous determination of paritaprevir, ritonavir, and ombitasvir in their combined tablet dosage forms: A comparative study	7
Mixture analysis using non‐negative elastic net for Raman spectroscopy	7
IQR CUSUM charts: An efficient approach for monitoring variations in aquatic toxicity	7
Envelopes: A new chapter in partial least squares regression	7
Estimating the reliability of predictions in locally weighted partial least‐squares modeling	7
Chemical identification of microfossils from the 1.88‐Ga Gunflint chert: Towards empirical biosignatures using laser ablation ionization mass spectrometer	6
Performance of smoothly clipped absolute deviation as a variable selection method in the artificial neural network‐based QSAR studies	6
Graphical introduction to principal components analysis	6
Principal components analysis with several objects and variables	6
Multisource information fusion strategies of mass spectrometry and Fourier transform infrared spectroscopy data for authenticating the age and parts of Vietnamese ginseng	6
Simple and fast spectrophotometric method based on chemometrics for the measurement of multicomponent adsorption kinetics	6
The canonical partial least squares approach to analysing multiway datasets—N‐CPLS	6
Exploring local spatial features in hyperspectral images	6
Heavy metal content prediction based on Random Forest and Sparrow Search Algorithm	6
Near‐infrared multivariate model transfer for quantification of different hydrogen bonding species in aqueous systems	6
Envelopes: A new chapter in partial least squares regression	6
Liu regression after random forest for prediction and modeling in high dimension	5
A pilot study on parallel factor analysis as a diagnostic tool for oral cancer diagnosis: A statistical modeling approach	5
NanoMetrix: An app for chemometric analysis from near infrared spectra	5
A comparative performance of machine learning algorithms on laser‐induced breakdown spectroscopy data of minerals	5
Optimization total phenolic content and antioxidant activity of Saccocalyx satureioides extracts obtained by ultrasonic‐assisted extraction	5
Divide et impera: How disentangling common and distinctive variability in multiset data analysis can aid industrial process troubleshooting and understanding	5
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 ComDim	5
Pattern recognition: An effective tool for quality assessment of herbal medicine based on chemical information	5
An efficient and accurate numerical determination of the cluster resolution metric in two dimensions	5
Classification of forensic hyperspectral paper data using hybrid spectral similarity algorithms	4
End‐to‐end analysis modeling of vibrational spectroscopy based on deep learning approach	4
A data‐driven soft sensor based on weighted probabilistic slow feature analysis for nonlinear dynamic chemical processes	4
Correction of overlapping peaks of Pb and As spectrum based on a chaotic particle swarm optimization–Gaussian mixture statistical model	4
Sparse common and distinctive covariates regression	4
Three‐way clustering around latent variables approach with constraints on the configurations to facilitate interpretation	4
Chemosensory aerosol assessment of key attributes for tobacco products	4
Dimensionality reduction of multielement glass evidence to calculate likelihood ratios	4
Monte Carlo methods for estimating Mallows's Cp and AIC criteria for PLSR models. Illustration on agronomic spectroscopic NIR data	4
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 spectrophotometer	4
Traceability of soybeans produced in Argentina based on their trace element profiles	4
Numerical introduction to principal components analysis	4
Application of infrared microscopy and alternating least squares to the forensic analysis of automotive paint chips	4

Permutation tests for ASCA in multivariate longitudinal intervention studies	3
An algorithm for robust multiblock partial least squares predictive modelling	3
Visualization of confusion matrices with network graphs	3
Data point importance: Information ranking in multivariate data	3
Model precision in partial least squares with discriminant analysis: A case study in document forgery through crossing lines	3
Artificial neural network (ANN) modeling for simultaneous removal of a binary mixture of Pb(II) and Cu(II) by cobalt hydroxide nano‐flakes	3
limpca: An R package for the linear modeling of high‐dimensional designed data based on ASCA/APCA family of methods	3
A new concept based on ensemble strategy and derivative for the quantitative analysis of infrared data	3
Decomposition of multi‐component fluorescence spectra by narrow peak method based on principal component analysis	3
Model selection techniques for sparse weight‐based principal component analysis	3
Modelling of the adsorption of urea herbicides by tropical soils with an Adaptive‐Neural‐based Fuzzy Inference System	3
Ensemble classification and regression techniques combined with portable near infrared spectroscopy for facile and rapid detection of water adulteration in bovine raw milk	3
False discovery rates, power and related concepts	3
Detection of skin defects in loquats based on grayscale features combined with reflectance, absorbance, and Kubelka–Munk spectra	3
Classification of urban soils for forensic purposes using supervised self‐organizing maps	3
Diagnosing indirect relationships in multivariate calibration models	3
Generalized simultaneous component analysis of binary and quantitative data	3
Multivariate calibration: Identification of phenolic compounds in PROPOLIS using FT‐NIR	3
Noise simulation in classification with the noisemodel R package: Applications analyzing the impact of errors with chemical data	3
Determination of metal contents in aromatic herbs and spices from Algeria: Chemometric approach	3
Evaluation of multiple linear regression applied to impedimetric sensing	3
Modeling and optimization of phycoremediation of heavy metals from simulated ash pond water through robust hybrid artificial intelligence approach	3
Application of response surface methodology for optimization of ultrasound‐assisted solid‐liquid extraction of phenolic compounds from Cenostigma macrophyllum	3
Support vector regression that takes into consideration the importance of explanatory variables	3