Journal ArticleDOI
PLS-regression: a basic tool of chemometrics
TLDR
PLS-regression (PLSR) as mentioned in this paper is the PLS approach in its simplest, and in chemistry and technology, most used form (two-block predictive PLS) is a method for relating two data matrices, X and Y, by a linear multivariate model.About:
This article is published in Chemometrics and Intelligent Laboratory Systems.The article was published on 2001-10-28. It has received 7861 citations till now. The article focuses on the topics: Partial least squares regression.read more
Citations
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PLS-SEM: Indeed a Silver Bullet
TL;DR: The authors conclude that PLS-SEM path modeling, if appropriately applied, is indeed a "silver bullet" for estimating causal models in many theoretical models and empirical data situations.
Journal ArticleDOI
Nondestructive measurement of fruit and vegetable quality by means of NIR spectroscopy: A review
Bart Nicolai,Katrien Beullens,Els Bobelyn,Ann Peirs,Wouter Saeys,Karen I. Theron,Jeroen Lammertyn +6 more
TL;DR: An overview of NIR spectroscopy for measuring quality attributes of horticultural produce is given in this article, where the problem of calibration transfer from one spectrophotometer to another is introduced as well as techniques for calibration transfer.
Journal ArticleDOI
MS-DIAL: data-independent MS/MS deconvolution for comprehensive metabolome analysis.
Hiroshi Tsugawa,Tomas Cajka,Tobias Kind,Yan Ma,Brendan T. Higgins,Kazutaka Ikeda,Mitsuhiro Kanazawa,Jean S. VanderGheynst,Oliver Fiehn,Masanori Arita +9 more
TL;DR: For a reversed-phase LC-MS/MS analysis of nine algal strains, MS-DIAL using an enriched LipidBlast library identified 1,023 lipid compounds, highlighting the chemotaxonomic relationships between theAlgal strains.
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Performance of some variable selection methods when multicollinearity is present
Il-Gyo Chong,Chi-Hyuck Jun +1 more
TL;DR: The nature of the VIP method is explored and it is compared with other methods through computer simulation experiments considering four factors–the proportion of the number of relevant predictor, the magnitude of correlations between predictors, the structure of regression coefficients, andThe magnitude of signal to noise.
Journal ArticleDOI
Data-driven Soft Sensors in the process industry
TL;DR: Characteristics of the process industry data which are critical for the development of data-driven Soft Sensors are discussed.
References
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Journal ArticleDOI
Multivariate design of process experiments (M-DOPE)
TL;DR: Some variations of the partial least squares (PLS) algorithm called ‘selective PLS’ are introduced to separate the variables into a small number of orthogonal groups that form the basis for experimental designs and processoptimization.