Multivariate Techniques for Parameter Selection and Data Analysis Exemplified by a Study of Pyrethroid Neurotoxicity

A large number of molecular descriptors (70) were calculated for a series of pyrethroid insecticides using the techniques of computational chemistry. Because the set of descriptors contains considerable redundancy, it is necessary to reduce the size of the data matrix while retaining useful information. Various techniques are available for investigation and reduction of large data sets. Several of these methods have been employed and the results of the different strategies compared. It is concluded that there is no preferred method but that each technique has advantages to offer and is complementary.