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Journal ArticleDOI

PLS-regression: a basic tool of chemometrics

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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.
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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.

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Citations
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Impact of sensory differences on consumer acceptability of yoghurt and yoghurt-like products

TL;DR: In this article, the authors used partial least squares regression to determine the sensory factors driving liking/disliking for each consumer subgroup and found that variability in sensory attributes did not affect sample acceptability.
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Foliar functional traits from imaging spectroscopy across biomes in eastern North America.

TL;DR: Trait models using partial least squares regression are developed, and 26 foliar traits are mapped in 7 NEON ecoregions (domains) including temperate and subtropical forests and grasslands of eastern North America to enable better understanding of trait variations and relationships over large areas, calibration of ecosystem models, and assessment of continental-scale functional diversity.
Journal ArticleDOI

Machine learning-driven new material discovery

TL;DR: This paper reviews this research paradigm of applying machine learning in material discovery, including data preprocessing, feature engineering, machine learning algorithms and cross-validation procedures, and proposes to assist traditional DFT calculations with machine learning for material discovery.
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Water uptake on polar stationary phases under conditions for hydrophilic interaction chromatography and its relation to solute retention.

TL;DR: It is evident that adsorption and partitioning actually coexist as retention promoters for neutral solutes in the water concentration regime normally encountered in HILIC.
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Antioxidant status and gut microbiota change in an aging mouse model as influenced by exopolysaccharide produced by Lactobacillus plantarum YW11 isolated from Tibetan kefir.

TL;DR: The analysis of pyrosequencing sequence data from the gut microbiota revealed that the EPS could recover the microbiota diversity and phylotypes decreased or eliminated by the d-galactose treatment, providing new insights into the functional mechanism of probiotics bioactivity.
References
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Book

Regression Diagnostics: Identifying Influential Data and Sources of Collinearity

TL;DR: In this article, the authors present a method for detecting and assessing Collinearity of observations and outliers in the context of extensions to the Wikipedia corpus, based on the concept of Influential Observations.
Book

A User's Guide to Principal Components

TL;DR: In this paper, the authors present a directory of Symbols and Definitions for PCA, as well as some classic examples of PCA applications, such as: linear models, regression PCA of predictor variables, and analysis of variance PCA for Response Variables.
Journal ArticleDOI

A Leisurely Look at the Bootstrap, the Jackknife, and Cross-Validation

TL;DR: This paper reviewed the nonparametric estimation of statistical error, mainly the bias and standard error of an estimator, or the error rate of a prediction rule, at a relaxed mathematical level, omitting most proofs, regularity conditions and technical details.
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