Interpretation of quantitative structure-property and -activity relationships.
作者信息
Katritzky A R, Petrukhin R, Tatham D, Basak S, Benfenati E, Karelson M, Maran U
机构信息
Department of Chemistry, Tartu University, 2 Jakobi Street, Tartu EE51014, Estonia.
出版信息
J Chem Inf Comput Sci. 2001 May-Jun;41(3):679-85. doi: 10.1021/ci000134w.
PMID:11410046
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.
摘要
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