Hierarchical orthogonalization of descriptors
Douglas J. Klein, Milan Randi, Darko Babi, Bono Lu i, Sonja Nikoli, Nenad Trinajsti · International Journal of Quantum Chemistry · 1997
A novel hierarchical orthogonalization procedure is described for a set of partially ordered molecular descriptors to be used in making statistical correlations within a given data set. Relations to least-squares fitting and principal components analysis are noted. An illustrative application is made to alkane properties expanded in terms of subgraph counts. © 1997 John Wiley & Sons, Inc. Int J Quant Chem 63: 215–222, 1997