Interpretation of Quantitative Structure-Property and -Activity Relationships. Katritzky, A., Petrukhin, R., Tatham, D., Basak, S., Benfenati, E., Karelson, M., & Maran, U. J.~Chem.~Inf.~Comput.~Sci., 41:679--685, 2001.
doi  abstract   bibtex   
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.
@article{Katritzky:2001aa,
	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.},
	Author = {Katritzky, A.R. and Petrukhin, R. and Tatham, D. and Basak, S. and Benfenati, E. and Karelson, M. and Maran, U.},
	Date-Added = {2008-04-25 12:36:27 -0400},
	Date-Modified = {2008-04-25 12:38:13 -0400},
	Doi = {10.1021/ci000134w},
	Journal = {J.~Chem.~Inf.~Comput.~Sci.},
	Keywords = {qsar; solubility; sweetness; toxicity},
	Pages = {679--685},
	Timescited = {0},
	Title = {Interpretation of Quantitative Structure-Property and -Activity Relationships},
	Volume = {41},
	Year = {2001},
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