On the rational selection of test series. 1. Principal component method combined with multidimensional mapping.
A method for the rational selection of optimal test series with high data variance and low collinearities is presented (PCMM method). The method combines the technique of multidimensional mapping originally introduced by Wootton and colleagues with the principal component method, and it is superior to other selection methods with respect to its collinearity decreasing power. Two examples of the application of PCMM are given, and the results are compared with corresponding results from other selection techniques.
D055598:Chemical Phenomena; D002621:Chemistry; D008722:Methods; D013329:Structure-Activity Relationship