COSMO data and conventional molecular descriptors compared by redundancy analysis
作者： Kurt Varmuza , Bettina Liebmann , Anton Friedl
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参考文章(4)
Andreas Klamt, COSMO-RS: From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design ,(2005)
Roberto Todeschini, Viviana Consonni, Handbook of Molecular Descriptors ,(2002)
Kurt Varmuza, Peter Filzmoser, Bettina Liebmann, Matthias Dehmer, Redundancy analysis for characterizing the correlation between groups of variables - Applied to molecular descriptors Chemometrics and Intelligent Laboratory Systems. ,vol. 117, pp. 31- 41 ,(2012) , 10.1016/J.CHEMOLAB.2011.05.013
Peter Filzmoser, Bettina Liebmann, Kurt Varmuza, Repeated double cross validation Journal of Chemometrics. ,vol. 23, pp. 160- 171 ,(2009) , 10.1002/CEM.1225