Genetic partial least squares

Dunn III, W.J. and Rogers, D. (1996). Genetic Partial Least Squares in QSAR. In Genetic Algorithms in Molecular Modeling. Principles of QSAR and Drug Design. Vol. 1 (Devillers, J., ed.). Academic Press, London (UK), pp. 109-130. 

Drmn, W.J. Ill, and Rogers, D. (1996) Genetic partial least squares in QSAR, in Genetic Algorithms in... 

Genetic function algorithms consider not only the presence or absence of a particular property in a regression equation, but also the form of the relationship between the property and biological activity. Linear, spline, Gaussian, and polynomial functions are frequently used. 7 For 3D-QSAR, the genetic partial least-squares method replaces the typical multiple regression calculation of the fitness with a PLS calculation. ... 

Kohonen network Conceptual clustering Principal Component Analysis (PCA) Decision trees Partial Least Squares (PLS) Multiple Linear Regression (MLR) Counter-propagation networks Back-propagation networks Genetic algorithms (GA)... 

Broadhurst, D., Goodacre, R., Jones, A., Rowland, J. J., Kell, D. B. Anal. Chim. Acta 348, 1997, 71-86. Genetic algorithms as a method for variable selection in multiple Unear regression and partial least squares regression, with applications to pyrolysis mass spectrometry. 

Hoffman, B., Cho, S.J., Zheng, W., Wyrick, S.D., Nichols, D.E., Mailman, R.B. and Tropsha, A. (1999) Quantitative structure-activity relationship modeling of dopamine D-1 antagonists using comparative molecular field analysis, genetic algorifhms-partial least-squares, and K nearest neighbor methods./. Mod. Chom., 42, 3217-3226. 

Hasegawa K, Funatsu K. Partial least squares modeling and genetic algorithm optimization in quantitative structure-activity relationships. SAR QSAR Environ Res 2000 11 189-209. 

D QSAR Application of Genetic Algorithms and Partial Least Squares to Variable Selection of Topological Indices,... 

D. Broadhurst, R. Goodacre, A. Jones, J.J. Rowland and D.B. Kell, Genetic Algorithms as a Method for Variable Selection in Multiple Linear Regression and Partial Least Squares Regression, with Applications to Pyrolysis Mass Spectrometry, Analytica Chimica Acta, 348(1-3) (1997), 71-86. 

Wanchana, S., Yamashita, F., Hashida, M. QSAR analysis of the inhibition of recombinant GYP 3A4 activity by structurally diverse compounds using a genetic algorithm-combined partial least squares method, Pharm. Res. 2003,20,1401-8. 

Bangalore, A. S., Shaffer, R. E., Small, G. W. and Arnold, M. (1996) Genetic algorithm-based method for selecting wavelengths and model size for use with partial least squares regression. Application to near infrared spectroscopy. Analytical Chemistry, 68, 4200-12. 

A demonstration of the performance of WCDs in a pharmaceutical setting can be illustrated by the development of a genetic algorithm/partial least-squares model of HIV reverse-transcriptase (HIVrt) inhibi-... 

Genetic Algorithms as a Method for Variable Selection in Multiple Linear Regression and Partial Least Squares Regression, with Applications to Pyrolysis Mass Spectrometry. 

K. Hasegawa and K. Funatsu, SAR QSAR Environ. Res., 11(3 ), 189-209 (2000). Partial Least-Squares Modeling and Genetic Algorithm Optimization in Quantitative Structure-Activity Relationships. 

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