Journal ArticleDOI
PLS-regression: a basic tool of chemometrics
Reads0
Chats0
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
More filters
Journal ArticleDOI
Assessing Wheat Traits by Spectral Reflectance: Do We Really Need to Focus on Predicted Trait-Values or Directly Identify the Elite Genotypes Group?
Miguel Garriga,Sebastián Romero-Bravo,Félix Estrada,Alejandro Escobar,Iván Matus,Alejandro del Pozo,César A. Astudillo,Gustavo A. Lobos +7 more
TL;DR: Most traits were relatively well-classified within a specific hydric condition (FI or WS), proving that classification approach is an effective tool to be explored in future studies related to genotype selection.
Journal ArticleDOI
Improving the prediction of African savanna vegetation variables using time series of MODIS products
TL;DR: This paper analyzes time series of four MODIS Vegetation Products for Etosha National Park and addresses an enduring challenge in the remote sensing of semiarid vegetation by examining the transferability of predictive models through space and time.
Journal ArticleDOI
Ultra-filtration of human serum for improved quantitative analysis of low molecular weight biomarkers using ATR-IR spectroscopy
Franck Bonnier,Hélène Blasco,Clément Wasselet,Guillaume Brachet,Renaud Respaud,Luis Felipe das Chagas e Silva de Carvalho,Dominique Bertrand,Matthew J. Baker,Hugh J. Byrne,Igor Chourpa +9 more
TL;DR: Fractionating the serum prior to spectroscopic analysis can considerably improve the precision and accuracy of quantitative models based on the partial least squares regression algorithm, and the ability to monitor changes in the concentrations of the low molecular weight constituents is enhanced.
Journal ArticleDOI
QSAR modeling of Daphnia magna and fish toxicities of biocides using 2D descriptors.
Kabiruddin Khan,Pathan Mohsin Khan,Giovanna J. Lavado,Cecile Valsecchi,Julia Pasqualini,Diego Baderna,Marco Marzo,Anna Lombardo,Kunal Roy,Kunal Roy,Emilio Benfenati +10 more
TL;DR: The models indicate that the toxicity of biocides to fish and Daphnia magna increases with lipophilicity and decreases with polarity, branching and unsaturation, and should be applicable for data gap filling in case of new or untested biocidal compounds falling within the applicability domain of the models.
Journal ArticleDOI
Sparse partial-least-squares discriminant analysis for different geographical origins of Salvia miltiorrhiza by (1) H-NMR-based metabolomics.
TL;DR: The results suggest that malonate and succinate can be possibly recognised as the key markers for discriminating the geographical origin of S. miltiorrhiza based on the regulation and influence on the root respiratory rates of plants.
References
More filters
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.