Interpretation of quantitative structure-property and -activity relationships

被引：114

作者：

Katritzky, AR ^{[1
]}

Petrukhin, R

Tatham, D

Basak, S

Benfenati, E

Karelson, M

Maran, U

机构：

[1] Univ Florida, Dept Chem, Gainesville, FL 32611 USA

[2] Univ Minnesota, Nat Resources Res Inst, Duluth, MN 55811 USA

[3] Inst Mario Negri, I-20157 Milan, Italy

[4] Univ Tartu, Dept Chem, EE-51014 Tartu, Estonia

来源：

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 2001年 / 41卷 / 03期

关键词：

D O I：

10.1021/ci000134w

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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.

引用

收藏

页码：679 / 685

页数：7

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