Interpretation of Quantitative Structure-Property
and -Activity Relationships

Alan R. Katritzky, Ruslan Petrukhin, and Douglas Tatham, Subhash Basak,
Emilio Benfenati, Mati Karelson, and Uko Maran

Abstract

The potential utility of data reduction methods (e.g. principal component analysis) for the analysis of matrices assembled from the related properties of large sets of compounds is discussed by reference to results obtained from solvent polarity scales, ongoing work on solubilities and sweetness properties, and proposed general treatments of toxicities and gas chromatographic retention indices.