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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Differentiating plant species within and across diverse ecosystems with imaging spectroscopy
Keely L. Roth,Dar A. Roberts,Philip E. Dennison,Michael Alonzo,Seth H. Peterson,Michael Beland,Michael Beland +6 more
TL;DR: In this article, the authors compared a number of classification approaches across five contrasting ecosystems containing an expansive diversity of species and plant functional types in an effort to find a robust strategy for discriminating among dominant plant species within and across ecosystems.
Journal ArticleDOI
Quantitative structure–activity relationship for toxicity of ionic liquids to Daphnia magna: Aromaticity vs. lipophilicity
TL;DR: The best model clearly shows the importance of aromaticity suggesting that more lipophilic ILs with less toxicity may be designed by avoiding aromaticity, nitrogen atoms and increasing branching in the cationic structure.
Journal ArticleDOI
In silico tools to aid risk assessment of endocrine disrupting chemicals.
TL;DR: In silico or computational tools could be used more effectively in endocrine disruptingor risk assessment for prescreening potential endocrine disruptors, improving experimental in vitro screening assay design and facilitating more thorough data analyses.
Journal ArticleDOI
Soil moisture dynamics within soil profiles and associated environmental controls
TL;DR: In this paper, partial least squares regression (PLSR) was used to understand the links between soil moisture dynamics and the 14 selected environmental indices, and the results showed that PLSR considerably reduced the dimensionality of the soil moisture data.
Journal ArticleDOI
NMR-based metabonomic study of transgenic maize.
Cesare Manetti,Cristiano Bianchetti,Mariano Bizzarri,Lorena Casciani,Cecilia Castro,Giuseppe D'Ascenzo,Maurizio Delfini,Maria Enrica Di Cocco,Aldo Laganà,Alfredo Miccheli,Mario Motto,Filippo Conti +11 more
TL;DR: The aim of this research was to verify the possibility of identifying and classifying maize seeds obtained from transgenic plants, in different classes according to the modification, on the basis of the concerted variation in metabolite levels detected by NMR spectra.
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
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.