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Alternative partial least-squares (PLS) algorithms
Perspectives in Drug Discovery and Design, 1998Mathematical treatments and modelling of large data structures have always created problems. From the infancy of computers to the late 1980s, the limiting factor when modelling large data structures was often the size of the computer memory.
Fredrik Lindgren, Stefan Rännar
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On robust partial least squares (PLS) methods
Journal of Chemometrics, 1998PLS regression methods have been used in applied fields for two decades. Techniques based on iteratively reweighted regression have appeared in the specialized literature with the contaminated data case. We propose a new robust PLS technique based on statistical procedures for covariance matrix robustification.
Juan A. Gil, Rosario Romera
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Classification of Metabolites with Kernel-Partial Least Squares (K-PLS)
Drug Metabolism and Disposition, 2007Numerous experimental and computational approaches have been developed to predict human drug metabolism. Since databases of human drug metabolism information are widely available, these can be used to train computational algorithms and generate predictive approaches. In turn, they may be used to assist in the identification of possible metabolites from
Mark J, Embrechts, Sean, Ekins
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Kernel Analysis of Partial Least Squares (PLS) Regression Models
Applied Spectroscopy, 2011An analytical technique based on kernel matrix representation is demonstrated to provide further chemically meaningful insight into partial least squares (PLS) regression models. The kernel matrix condenses essential information about scores derived from PLS or principal component analysis (PCA).
Hideyuki, Shinzawa +2 more
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2017
Die Partial Least Squares Strukturgleichungsmodellierung (PLS-SEM) hat sich in der wirtschafts- und sozialwissenschaftlichen Forschung als geeignetes Verfahren zur Schätzung von Kausalmodellen behauptet. Dank der Anwenderfreundlichkeit des Verfahrens und der vorhandenen Software ist es inzwischen auch in der Praxis etabliert.
Hair, Joseph F. +5 more
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Die Partial Least Squares Strukturgleichungsmodellierung (PLS-SEM) hat sich in der wirtschafts- und sozialwissenschaftlichen Forschung als geeignetes Verfahren zur Schätzung von Kausalmodellen behauptet. Dank der Anwenderfreundlichkeit des Verfahrens und der vorhandenen Software ist es inzwischen auch in der Praxis etabliert.
Hair, Joseph F. +5 more
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A review of using partial least square structural equation modeling in e‐learning research
British Journal of Educational Technology, 2019Partial least squares structural equation modeling (PLS-SEM) has become a key multivariate statistical modeling technique that educational researchers frequently use.
Hung-Ming Lin +5 more
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On the use of partial least squares (PLS) and balancing for nonlinear model reduction
Proceedings of the 2005, American Control Conference, 2005., 2005Model reduction is an important technique to reduce the complexity of nonlinear process models for controller design. The goal is to approximate the model as accurate as possible while at the same time achieve a speedup in computation time. The technique presented in this paper combines balancing with partial least squares (PLS) for achieving a small ...
Chuili Sun, Juergen Hahn
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The Probability of Chance Correlation Using Partial Least Squares (PLS)
Quantitative Structure-Activity Relationships, 1993AbstractThe frequency of chance correlation using partial least squares (PLS) has been measured experimentally for variously dimensioned data, comprising either completely random numbers, random numbers containing a perfect correlation within, and CoMFA field descriptors. This frequency, much lower than that for stepwise multiple regression, is maximal
Matthew Clark, Richard D. Cramer
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Partial Least Squares (PLS): Its strengths and limitations
Perspectives in Drug Discovery and Design, 1993For structure-activity correlation, Partial Least Squares (PLS) has many advantages over regression, including the ability to robustly handle more descriptor variables than compounds, nonorthogonal descriptors and multiple biological results, while providing more predictive accuracy and a much lower risk of chance correlation. The major limitations are
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