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Journal ArticleDOI

Evaluation of principal component selection methods to form a global prediction model by principal component regression

Yu-Long Xie, +1 more
- 20 Aug 1997 - 
- Vol. 348, pp 19-27
TLDR
In this article, a forward selection procedure PCR (FSPCR) is evaluated and compared to top-down selection and correlation principal component regression (CPCR) for multivariate calibration.
About: 
This article is published in Analytica Chimica Acta.The article was published on 1997-08-20. It has received 75 citations till now. The article focuses on the topics: Principal component regression & Principal component analysis.

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Citations
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Journal ArticleDOI

Paracetamol Crystallization Using Laser Backscattering and ATR-FTIR Spectroscopy: Metastability, Agglomeration, and Control

Mitsuko Fujiwara, +3 more
- 10 Aug 2002 - 
TL;DR: In this paper, a systematic approach is developed for the in situ control of the crystal size distribution, and is applied to the aqueous crystallization of paracetamol (acetaminophen) as a model pharmaceutical system.
Journal ArticleDOI

How to avoid over-fitting in multivariate calibration--the conventional validation approach and an alternative.

Nicolaas (Klaas) M. Faber, +1 more
- 09 Jul 2007 - 
TL;DR: A randomization test that enables one to assess the statistical significance of each component that enters the model and is compared with cross-validation and independent test set validation for the calibration of a near-infrared spectral data set using partial least squares (PLS) regression.
Journal ArticleDOI

Solute concentration prediction using chemometrics and ATR-FTIR spectroscopy

Timokleia Togkalidou, +3 more
- 01 Oct 2001 - 
TL;DR: In this article, a total reflection Fourier transform infrared spectroscopy is coupled with chemometrics to provide highly accurate in situ solute concentration measurement in dense crystal slurries.
Journal ArticleDOI

Genetic algorithms applied to the selection of factors in principal component regression

U Depczynski, +2 more
- 14 Sep 2000 - 
TL;DR: A new kind of fitness function was applied which combined the prediction error of the calibration and an independent validation set, and a general statistical criterion for judging the significance of differences between individual calibration models is introduced.
Journal ArticleDOI

Genetic Algorithm Applied to the Selection of Factors in Principal Component-Artificial Neural Networks: Application to QSAR Study of Calcium Channel Antagonist Activity of 1,4-Dihydropyridines (Nifedipine Analogous)

Bahram Hemmateenejad, +3 more
- 25 Jun 2003 - 
TL;DR: A QSAR algorithm, principal component-genetic algorithm-artificial neural network (PC-GA-ANN), has been applied to a set of newly synthesized calcium channel blockers, which are of special interest because of their role in cardiac diseases.
References
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Book

Principal Component Analysis

Ian T. Jolliffe
TL;DR: In this article, the authors present a graphical representation of data using Principal Component Analysis (PCA) for time series and other non-independent data, as well as a generalization and adaptation of principal component analysis.
Journal ArticleDOI

Principal Components Regression in Exploratory Statistical Research

William F. Massy
- 01 Mar 1965 - 
TL;DR: In this paper, a regression of a dependent variable upon the proportions of families in the classes of the marginal income and education distributions for 1950 census tracts in the city of Chicago led to the estimation of "beta coefficient profiles" for television receiver and refrigerator ownership, for central heating system usage, and for a measure of dwelling unit overcrowding.
Journal ArticleDOI

Locally weighted regression and scatter correction for near-infrared reflectance data

Tormod Næs, +2 more
- 01 Apr 1990 - 
Journal ArticleDOI

The Use of Principal Components in the Analysis of Near-Infrared Spectra

Ian A. Cowe, +1 more
- 01 Mar 1985 - 
TL;DR: In this paper, the statistical technique of principal components is used to analyze two sets of near-infrared spectra, wheat flour samples for which % moisture and % protein values are included, and milled barley samples for whose hot water extract values were included.
Book

Regression Analysis and Its Application: A Data-Oriented Approach

Richard F. Gunst, +1 more
TL;DR: This book bridges the gap between the purely theoretical coverage of regression analysis and its practical application and contains ten major data sets along with several smaller ones to illustrate the common characteristics of regression data and properties of statistics that are employed in regression analysis.