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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Data Mining Methods for Omics and Knowledge of Crude Medicinal Plants toward Big Data Biology.
Farit Mochamad Afendi,Farit Mochamad Afendi,Naoaki Ono,Yukiko Nakamura,Kensuke Nakamura,Latifah Kosim Darusman,Nelson Kibinge,Aki Hirai Morita,Ken Tanaka,Hisayuki Horai,Md. Altaf-Ul-Amin,Shigehiko Kanaya +11 more
TL;DR: Mathematical modeling introduced in the present study can be utilized in global analysis of big data targeting to reveal the underlying biology.
Journal ArticleDOI
General Framework for Latent Variable Model Inversion for the Design and Manufacturing of New Products
TL;DR: In this paper, the authors present a framework that aims to give a holistic view of the optimization formulations that can arise from the need to invert an LVRM, and an example of these formulations can be found in Figure 1.
Journal ArticleDOI
Fluorescence spectroscopy as a potential metabonomic tool for early detection of colorectal cancer
Anders J. Lawaetz,Rasmus Bro,Maja H. Kamstrup-Nielsen,Ib Jarle Christensen,Lars N. Jorgensen,Hans Jørgen Nielsen +5 more
TL;DR: The present findings show how fluorescence Spectroscopy and chemometrics can help in cancer diagnostics, and with PARAFAC fluorescence spectroscopy can be a potential metabonomic tool.
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Comprehensive Monitoring of Nonlinear Processes Based on Concurrent Kernel Projection to Latent Structures
TL;DR: A new approach called concurrent kernel PLS (CKPLS) is presented to detect faults comprehensively for nonlinear processes to solve quality-relevant process monitoring.
Journal ArticleDOI
Simultaneous voltammetric determination of levodopa, carbidopa and benserazide in pharmaceuticals using multivariate calibration.
TL;DR: The methodology proposed based on DPV data processed with the PLS-1 algorithm was able to quantify simultaneously levodopa, carbidopa and benserazide in its pharmaceuticals formulations using a ternary calibration model for these drugs in presence of excipients.
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.