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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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Partial Least Squares (PLS) Methods for Abnormal Detection of Breast Cells
2017Breast cancer is one of the malignant tumors having high incidence in women, the incidence of breast cancer has increased in all parts of the world since twentieth century, but its etiology is not yet completely clear, so it is very important to detect breast cells.
Yuchen Zhu +3 more
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Notes on the history and nature of partial least squares (PLS) modelling
Journal of Chemometrics, 1988AbstractThe growing awareness of the need for non‐deterministic and distribution‐free (soft) models combined with an iterative algorithm for finding latent variables led to the construction of partial least squares models. There have been separate developments in the humanistic and the natural sciences, with stress on different aspects and a different ...
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Modèles d'équations structurelles Partial Least Squares (PLS-SEM)
2022Cette troisième édition de Modèles d’équations structurelles Partial Least Squares (PLS-SEM) (1re édition française) guide les lecteurs dans l'apprentissage et la maîtrise des techniques de cette approche. Les auteurs s'appuient sur leurs années de recherche et d'enseignement pour communiquer les principes fondamentaux de la méthode PLS-SEM dans un ...
Hair, Joseph Franklin +5 more
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Sample-distance partial least squares: PLS optimized for many variables, with application to CoMFA
Journal of Computer-Aided Molecular Design, 1993Three-dimensional molecular modeling can provide an unlimited number m of structural properties. Comparative Molecular Field Analysis (CoMFA), for example, may calculate thousands of field values for each model structure. When m is large, partial least squares (PLS) is the statistical method of choice for fitting and predicting biological responses ...
Bruce L. Bush, Robert B. Nachbar
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Partial least squares (PLS) based monitoring and control of batch digesters
Journal of Process Control, 2000Abstract In this paper, a data-based control method for reducing product quality variations in batch pulp digesters is presented. Compared to the existing techniques, the new technique uses more liquor measurements in predicting the final pulp quality. The liquor measurements obtained at different time instances during a cook are related to the final
Kesavan, P +3 more
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QSAR and QSPR Model Interpretation Using Partial Least Squares (PLS) Analysis
Current Computer Aided-Drug Design, 2012Carefully developed quantitative structure-activity and structure-property relationship models contain detailed information regarding how differences in the molecular structure of compounds correlate with differences in the observed biological or other physicochemical properties of those compounds.
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A primer on partial least squares structural equation modeling (PLS-SEM)
2017The third edition of A Primer on Partial Least Squares Structural Equation Modeling (PLS-SEM) guides readers through learning and mastering the techniques of this approach in clear language. Authors Joseph H. Hair, Jr., G. Tomas M. Hult, Christian Ringle, and Marko Sarstedt use their years of conducting and teaching research to communicate the ...
Hair, Joseph F. +3 more
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PLS: Partial Least Squares Projections to Latent Structures
1993the work describes the use of chemometrics tools such as PCA, PLS in the context of QSAR analysis employing 3D molecular descriptors derived from codification of molecular interactions terms in molecular modeling of biological ...
S. WOLD, E. JOHANSSON, COCCHI, Marina
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