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Interpretation of Quantitative Structure−Property and −Activity Relationships
2001
Journal of chemical information and computer sciences
Preserved Fulltext
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.
doi:10.1021/ci000134w
pmid:11410046
fatcat:lpltoqetongnrl4bliujugvcz4