INIFTA 05425
INSTITUTO DE INVESTIGACIONES FISICO-QUIMICAS TEORICAS Y APLICADAS
Unidad Ejecutora - UE
capítulos de libros
Título:
The Employment of Orthogonalization Methods in QSPR-QSAR Studies
Autor/es:
PABLO R. DUCHOWICZ; FRANCISCO M. FERNANDEZ; EDUARDO A. CASTRO
Libro:
QSPR-QSAR Studies on Desired Properties for Drug Design
Editorial:
Research Signpost/Transworld Research Network
Referencias:
Año: 2009;
Resumen:
We discuss some features of the orthogonalization
methods commonly applied to QSPR - QSAR studies. We outline
the well known multivariable linear regression analysis in vector
form in order to compare mainly Randic and Gram-Schmidt
orthogonalization procedures and also cast the basis for other
approaches like Löwdins one. We expect that present review may
become the starting point for future developments in QSAR -
QSPR Theory.
