Journal Of Chemometrics

Journal Of Chemometrics

化学计量学杂志

  • 4区 中科院分区
  • Q1 JCR分区

高引用文章

文章名称 引用次数
One-dimensional convolutional neural networks for spectroscopic signal regression 22
Multi-similarity measurement driven ensemble just-in-time learning for soft sensing of industrial processes 20
Chemometrics in laser-induced breakdown spectroscopy 17
Differentiation of stabilized nitrocellulose during artificial aging: Spectroscopy methods coupled with principal component analysis 15
Modified ridge-type estimator to combat multicollinearity: Application to chemical data 13
A two-layer ensemble learning framework for data-driven soft sensor of the diesel attributes in an industrial hydrocracking process 13
Multiclass partial least squares discriminant analysis: Taking the right wayA critical tutorial 9
A practical convolutional neural network model for discriminating Raman spectra of human and animal blood 9
Is it possible to improve the quality of predictions from an intelligent use of multiple QSAR/QSPR/QSTR models? 9
Model and estimators for partial least squares regression 8
Developing a ridge estimator for the gamma regression model 8
Determination of optimum number of components in partial least squares regression from distributions of the root-mean-squared error obtained by Monte Carlo resampling 8
End-to-end quantitative analysis modeling of near-infrared spectroscopy based on convolutional neural network 8
Local partial least squares based on global PLS scores 7
Performance of methods that separate common and distinct variation in multiple data blocks 7
Quantitative analysis based on spectral shape deformation: A review of the theory and its applications 6
Fault detection and diagnosis strategy based on a weighted and combined index in the residual subspace associated with PCA 5
Uniform experimental design in chemometrics 5
Assorted control charts: An efficient statistical approach to monitor pH values in ecotoxicology lab 5
Simultaneous construction of dual Borgen plots. II: Algorithmic enhancement for applications to noisy spectral data 5
Partial least squares discriminant analysis for chemometrics and metabolomics: How scores, loadings, and weights differ according to two common algorithms 5
Projection to latent structures with orthogonal constraints for metabolomics data 5
Topological characteristics of iterated line graphs in QSAR problem: Octane numbers of saturated hydrocarbons 4
Confidence ellipsoids for ASCA models based on multivariate regression theory 4
Classification and statistical analysis of hydrothermal seafloor rocks measured underwater using laser-induced breakdown spectroscopy 4
A review of orthogonal projections for calibration 4
A similarity index for comparing coupled matrices 4
Classification of six herbal bioactive compositions employing LAPV and PLS-DA 4
Iterative deflation algorithm, eigenvalue equations, and PLS2 4
Design of Experiments: A comparison study from the non-expert user's perspective 4
Screening for linearly and nonlinearly related variables in predictive cheminformatic models 4
Combination of heuristic optimal partner bands for variable selection in near-infrared spectral analysis 4
Ensemble calibration for the spectral quantitative analysis of complex samples 4
Decentralized monitoring for large-scale process using copula-correlation analysis and Bayesian inference-based multiblock principal component analysis 3
Current challenges in second-order calibration of hyphenated chromatographic data for analysis of highly complex samples 3
Comparison of validation variants by sum of ranking differences and ANOVA 3
Just-in-time learning-multiple subspace support vector data description used for non-Gaussian dynamic batch process monitoring 3
Data augmentation in food science: Synthesising spectroscopic data of vegetable oils for performance enhancement 3
Ensemble learning model based on selected diverse principal component analysis models for process monitoring 3
Orders of magnitude speed increase in partial least squares feature selection with new simple indexing technique for very tall data sets 3
Baseline and interferent correction by the Tikhonov regularization framework for linear least squares modeling 3
Linear discriminant analysis, partial least squares discriminant analysis, and soft independent modeling of class analogy of experimental and simulated near-infrared spectra of a cultivation medium for mammalian cells 3
NIR hyperspectral imaging spectroscopy and chemometrics for the discrimination of roots and crop residues extracted from soil samples 3
Support vector machine regression on selected wavelength regions for quantitative analysis of caffeine in tea leaves by near infrared spectroscopy 3
Using inclusion complexes for achieving second-order advantage: A novel technique for cinnamic acid derivatives analysis with second-order calibration methods 3
Early detection of undesirable deviations in must fermentation using a portable FTIR-ATR instrument and multivariate analysis 3
Comparative chemometric analysis for classification of acids and bases via a colorimetric sensor array 3
Hybrid central composite design for simultaneous optimization of removal of methylene blue and alizarin red S from aqueous solutions using Vitis tree leaves 3
A frequency-localized recursive partial least squares ensemble for soft sensing 3
A comparison of two PLS-based approaches to structural equation modeling 3