Journal
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
Volume 41, Issue 3, Pages 679-685Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ci000134w
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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.
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