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 2020-07-01 to 2024-07-01.)

Article	Citations
Preprocessing methods for near‐infrared spectrum calibration	62
Machine learning in prediction of intrinsic aqueous solubility of drug‐like compounds: Generalization, complexity, or predictive ability?	32
Deep chemometrics: Validation and transfer of a global deep near‐infrared fruit model to use it on a new portable instrument	21
Improving Harris hawks optimization algorithm for hyperparameters estimation and feature selection in v‐support vector regression based on opposition‐based learning	18
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
On the possible benefits of deep learning for spectral preprocessing	16
A Liu estimator for the beta regression model and its application to chemical data	15
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	14
Investigating challenges with scattering and inner filter effects in front‐face fluorescence by PARAFAC	13
Experimental design optimization and isotherm modeling for removal of copper(II) by calcium‐terephthalate MOF synthesized from recycled PET waste	12
Predicting molecular activity on nuclear receptors by multitask neural networks	12
Contingency tables, confusion matrices, classifiers and quality of prediction	12
A chemometrician's guide to transfer learning	11
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
Envelopes: A new chapter in partial least squares regression	11
A robust functional partial least squares for scalar‐on‐multiple‐function regression	10
A comparison between Box–Behnken design and artificial neural network: Modeling of removal of Phenol Red from water solutions by nanocobalt hydroxide	10
Analytic formulas of peak current in cyclic voltammogram: Machine learning as an alternative way?	10
Rapid quantification of constituents in tobacco by NIR fiber‐optic probe	9
Graph‐based calibration transfer	9
Heavy metal content prediction based on Random Forest and Sparrow Search Algorithm	9
Estimating the reliability of predictions in locally weighted partial least‐squares modeling	9
Artificial intelligence‐based multiobjective optimization of reverse osmosis desalination pretreatment using a hybrid ZnO‐immobilized/photo‐Fenton process	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

A chemometrician's guide to transfer learning	8
Laser‐induced breakdown spectroscopy and chemometric analysis of black toners for forensic applications	8
A chemometric approach to compare Portuguese native hops with worldwide commercial varieties	8
Mixture analysis using non‐negative elastic net for Raman spectroscopy	8
IQR CUSUM charts: An efficient approach for monitoring variations in aquatic toxicity	7
Influence diagnostics in the inverse Gaussian ridge regression model: Applications in chemometrics	7
Graphical introduction to principal components analysis	7
Exploring local spatial features in hyperspectral images	7
Ensemble classification and regression techniques combined with portable near infrared spectroscopy for facile and rapid detection of water adulteration in bovine raw milk	7
Chemical identification of microfossils from the 1.88‐Ga Gunflint chert: Towards empirical biosignatures using laser ablation ionization mass spectrometer	6
Numerical 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
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
The canonical partial least squares approach to analysing multiway datasets—N‐CPLS	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
A comparative performance of machine learning algorithms on laser‐induced breakdown spectroscopy data of minerals	5
An efficient and accurate numerical determination of the cluster resolution metric in two dimensions	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
A pilot study on parallel factor analysis as a diagnostic tool for oral cancer diagnosis: A statistical modeling approach	5
Envelopes: A new chapter in partial least squares regression	5
End‐to‐end analysis modeling of vibrational spectroscopy based on deep learning approach	5
Liu regression after random forest for prediction and modeling in high dimension	5
limpca: An R package for the linear modeling of high‐dimensional designed data based on ASCA/APCA family of methods	5
Noise simulation in classification with the noisemodel R package: Applications analyzing the impact of errors with chemical data	5
NanoMetrix: An app for chemometric analysis from near infrared spectra	5
Chemosensory aerosol assessment of key attributes for tobacco products	4
Model selection techniques for sparse weight‐based principal component analysis	4
Generalized simultaneous component analysis of binary and quantitative data	4
Shift‐invariant tri‐linearity—A new model for resolving untargeted gas chromatography coupled mass spectrometry data	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
Dimensionality reduction of multielement glass evidence to calculate likelihood ratios	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
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
Support vector regression that takes into consideration the importance of explanatory variables	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
Modeling and optimization of phycoremediation of heavy metals from simulated ash pond water through robust hybrid artificial intelligence approach	4
ResNet models for rapid identification of species and geographical origin of wild boletes from Yunnan, and MaxEnt model for delineation of potential distribution	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
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
An algorithm for robust multiblock partial least squares predictive modelling	3
On the area of feasible solutions for rank‐deficient problems: I. Introduction of a generalized concept	3
Data point importance: Information ranking in multivariate data	3

Classification of urban soils for forensic purposes using supervised self‐organizing maps	3
Authentication of edible oils using an infrared spectral library and digital sample sets: A feasibility study	3
Raman spectroscopy and multivariate analysis for identification and classification of pharmaceutical pain reliever tablets	3
Modelling of the adsorption of urea herbicides by tropical soils with an Adaptive‐Neural‐based Fuzzy Inference System	3
Research progress on the application of hyperspectral imaging techniques in tea science	3
Visualization of confusion matrices with network graphs	3
Determination of metal contents in aromatic herbs and spices from Algeria: Chemometric approach	3
Application of response surface methodology for optimization of ultrasound‐assisted solid‐liquid extraction of phenolic compounds from Cenostigma macrophyllum	3
Diagnosing indirect relationships in multivariate calibration models	3
Multivariate calibration: Identification of phenolic compounds in PROPOLIS using FT‐NIR	3
Permutation tests for ASCA in multivariate longitudinal intervention studies	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
Partial least median of squares regression	3