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Principal Component Analysis of Partition Coefficients in Different Solvent Systems

Dove, Stefan and Franke, R. and Kühne, R. (1980) Principal Component Analysis of Partition Coefficients in Different Solvent Systems. In: Knoll, J. and Darvas, F., (eds.) Chemical Structure - Biological Activity Relationships: Quantitative Approaches. Advance in pharmacological research and practice. 3. congress of the Hungarian Pharmacological Soc., 3. Pergamon, Oxford, 247 - 255. ISBN 0080263887; 978-0080263885.

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A simple model was derived from a principal component anal. (PCA) of partition coeffs. The equation contains a hydrophobic fragmental const. obtainable from PCA, which represents an av. effect of lipophilic and hydrophilic fragments on the hydrophobicity of the solutes in several solvent/water systems, and a term reflecting the quant. correction of hydrophobicity, dependent on the H bonding ...


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Item Type:Book Section
Institutions:Chemistry and Pharmacy > Institute of Pharmacy > Pharmaceutical/Medicinal Chemistry II (Prof. Buschauer)
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Dewey Decimal Classification:500 Science > 540 Chemistry & allied sciences
Refereed:No, this document will not be refereed
Created at the University of Regensburg:No
Deposited On:21 Jan 2009 16:47
Last Modified:05 Aug 2009 13:50
Item ID:5418
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