HIERARCHICAL ORTHOGONALIZATION OF DESCRIPTORS

摘要

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. (C) 1997 John Wiley & Sons, Inc. [References: 35]