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H-type indices with applications in chemometrics I: h-multiple similarity index

期刊: JOURNAL OF CHEMOMETRICS, 2021; 35 (9)

The h-index was originally proposed to measure the impact of individuals' scientific output, based on their number of publications and citations. In t......

Detection and prediction of active ingredients in fingerprints of traditional Chinese medicine from a high-dimensional perspective

期刊: JOURNAL OF CHEMOMETRICS, 2021; 35 (7-8)

High-dimensional problems exist in various fields of medicine. Data analysis of medical data from a high-dimensional perspective brings new challenges......

IQR CUSUM charts: An efficient approach for monitoring variations in aquatic toxicity

期刊: JOURNAL OF CHEMOMETRICS, ; ()

Toxicant testing is a major component of the environmental solution testing program. This test system aims to evaluate the sensitivity of the test spe......

Polymorph identification in green Chinese architectural paints using Raman imaging and multivariate curve resolution

期刊: JOURNAL OF CHEMOMETRICS, 2021; 35 (1)

Distinguishing the polymorphs of basic copper chlorides is useful to inform how these materials were used as pigments in Western artworks. Raman imagi......

A new concept based on ensemble strategy and derivative for the quantitative analysis of infrared data

期刊: JOURNAL OF CHEMOMETRICS, 2021; 35 (4)

Preprocessing and variable selection are the most widely used strategies to develop accurate predictive models based on infrared spectroscopy. In our ......

Simple and fast spectrophotometric method based on chemometrics for the measurement of multicomponent adsorption kinetics

期刊: JOURNAL OF CHEMOMETRICS, 2020; 34 (8)

UV-Vis spectrophotometry has been widely applied in the quantitative analysis of different analytes in many fields, but it still faces challenges in t......

Monitoring of industrial processes using robust global-local preserving projection

期刊: JOURNAL OF CHEMOMETRICS, 2020; 34 (9)

Usual multivariate statistical analysis (MSA) techniques are highly sensitive to outliers because they are based on the least squares fitting or the e......

End-to-end analysis modeling of vibrational spectroscopy based on deep learning approach

期刊: JOURNAL OF CHEMOMETRICS, 2020; 34 (10)

The characteristics of the spectral data are essential for the qualitative analysis of substances. Traditional classification models often need to pre......

Mixture analysis using non-negative elastic net for Raman spectroscopy

期刊: JOURNAL OF CHEMOMETRICS, 2020; 34 (10)

Raman spectrum is wealth of structural information, which can be used as molecular fingerprint to identify compounds. There are relations between the ......

Preprocessing methods for near-infrared spectrum calibration

期刊: JOURNAL OF CHEMOMETRICS, 2020; 34 (11)

Spectrum preprocessing is an essential component in the near-infrared (NIR) calibration. However, it has mostly been configured arbitrarily in the lit......

Correction of overlapping peaks of Pb and As spectrum based on a chaotic particle swarm optimization-Gaussian mixture statistical model

期刊: JOURNAL OF CHEMOMETRICS, 2020; 34 (11)

Energy-dispersive X-ray fluorescence spectroscopy has been effectively applied to detect heavy metals in soil because of its fast detection speed, low......

Large-scale dynamic process monitoring based on performance-driven distributed canonical variate analysis

期刊: JOURNAL OF CHEMOMETRICS, 2020; 34 (3)

As a typical process monitoring method for the large-scale industrial process, the distributed principal components analysis (DPCA) needs to be improv......

An ensemble just-in-time learning soft-sensor model for residual lithium concentration prediction of ternary cathode materials

期刊: JOURNAL OF CHEMOMETRICS, 2020; 34 (5)

The surface-free lithium content, which is a critical index that reflecting the quality of ternary cathode materials, usually cannot be monitored in r......

Coherent point drift peak alignment algorithms using distance and similarity measures for two-dimensional gas chromatography mass spectrometry data

期刊: JOURNAL OF CHEMOMETRICS, 2020; 34 (8)

The peak alignment is a vital preprocessing step before downstream analysis, such as biomarker discovery and pathway analysis, for two-dimensional gas......

LASSO-based false-positive selection for class-imbalanced data in metabolomics

期刊: JOURNAL OF CHEMOMETRICS, 2019; 33 (10)

Feature selection and rebalancing can be seen as two preprocessing ways in class-imbalanced learning. Recently, there have been many research achievem......

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