Streich, W.-J. and Dove, Stefan and Franke, R. (1980) On the Rational Selection of Test Series. I. Principal Component Analysis Combined with Multidimensional Mapping (PCMM Method). Journal of Medicinal Chemistry 23 (12), pp. 1452-1456.
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A procedure which is a combination of 2 basic steps, principal component method and multidimensional mapping (PCMM) is described. The method minimizes collinearities and still yields test series of sufficient high data variance. The variance coeff. VS and the determinant of the correlation matrix DS were used. The method was applied to a series of monosubstitutions and the results compared well with other QSAR methods as tools to rationalize drug design.
|Institutions:||Chemistry and Pharmacy > Institute of Pharmacy > Pharmaceutical/Medicinal Chemistry II (Prof. Buschauer)|
|Subjects:||500 Science > 540 Chemistry & allied sciences|
|Refereed:||Yes, this version has been refereed|
|Created at the University of Regensburg:||No|
|Owner:||Prof. Dr. Stefan Dove|
|Deposited On:||14 Jan 2009 15:14|
|Last Modified:||05 Aug 2009 13:50|