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 abilities of the hydrophilic fragments. The model fully corresponds to the equations derived by Dekker (1977) and by Fujita et al. (1977).
|Item Type:||Book Section|
|Institutions:||Chemistry and Pharmacy > Institute of Pharmacy > Pharmaceutical/Medicinal Chemistry II (Prof. Buschauer)|
|Subjects:||500 Science > 540 Chemistry & allied sciences|
|Refereed:||No this document will not be refereed|
|Created at the University of Regensburg:||No|
|Owner:||Prof. Dr. Stefan Dove|
|Deposited On:||21 Jan 2009 16:47|
|Last Modified:||05 Aug 2009 13:50|