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.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
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Ontogenetic and environmental effects on otolith shape variability in three Mediterranean European eel (Anguilla anguilla, L.) local stocks
Fabrizio Capoccioni,Corrado Costa,Jacopo Aguzzi,Paolo Menesatti,Antoni Lombarte,Eleonora Ciccotti +5 more
TL;DR: Results indicate that otolith shape is highly uniform at smaller than at larger sizes, apparently overlap the initial differentiation of the small otolith outlines acquired by eels during the growing phase as elvers in the marine environment.
Journal ArticleDOI
Perspectives in the use of spectroscopy to characterise pharmaceutical solids.
TL;DR: Emerging topics related to spectroscopic analysis of pharmaceutical solids are reviewed, thought to be of the foremost importance in improving the understanding of pharmaceutical materials, processes and formulations.
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Quantitative structure activity relationship modelling of peptides and proteins as a tool in food science
TL;DR: Peptide QSAR modelling has been especially useful for antimicrobial, ACE-inhibitory and bitter tasting peptides, but could easily be expanded to other areas within food research.
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Estimating leaf chlorophyll of barley at different growth stages using spectral indices to reduce soil background and canopy structure effects
TL;DR: In this paper, the authors developed spectral indices that can reduce the effects of varied canopy structure and growth stages for the estimation of leaf chlorophyll content in agricultural crop leaves, which is of great importance for stress detection, nutritional state diagnosis, yield prediction and studying the mechanisms of plant and environment interaction.
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Fluorescence Spectroscopy and Chemometric Modeling for Bioprocess Monitoring
Saskia M. Faassen,Bernd Hitzmann +1 more
TL;DR: This contribution provides an overview of different analysis methods for the measured fluorescence spectra and the model-building chemometric methods used for various microbial cultivations, including the most frequently used PLS-method for the calculation of process models and prediction of process variables.
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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
Bradley Efron,Gail Gong +1 more
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.