Principal Properties for Aromatic Substituents. A Multivariate Approach for Design in QSAR
- 1 January 1989
- journal article
- research article
- Published by Wiley in Quantitative Structure-Activity Relationships
- Vol. 8 (1) , 32-38
Abstract
A set of a hundred aromatic substituents were multivariately characterized by nine descriptor variables taken from the literature. From the 9*100 data set were calculated four principal properties for the aromatic substituents as the four first dimensions in a principal components analysis, PCA. The first three principal properties were used to develop a strategy for selecting substituents from eight subgroups according to a factorial design.Keywords
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