Hierarchical orthogonalization of descriptors Academic Article uri icon

abstract

  • 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.

published proceedings

  • INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

author list (cited authors)

  • Klein, D. J., Randic, M., Babic, D., Lucic, B., Nikolic, S., & Trinajstic, N.

citation count

  • 51

complete list of authors

  • Klein, DJ||Randic, M||Babic, D||Lucic, B||Nikolic, S||Trinajstic, N

publication date

  • January 1997

publisher