METHYLTHIO-4,6-BIS(MONOALKYLAMINO)-1,3,5-TRIAZINES AS INHIBITORS OF HILL REACTION - A QSAR STUDY WITH ORTHOGONALIZED DESCRIPTORS

The QSAR models for herbicidal activity of methylthio-4,6-bis(monoalky lamino)-1,3,5-triazines have been developed using orthogonalized molec ular connectivity indices. The orthogonalization of the descriptor var iables were performed by a recently proposed dominant component method and well established principal component analysis. The three paramete r model based on dominant component descriptors and four parameter pri ncipal component regression model are similar in their statistical pro perties. However, direct correspondence between dominant component des criptors and original variables makes the former model easier to inter pret. The obtained models are simpler than the earlier proposed six pa rameter model, based on n-octanol/water partition coefficients and Taf t's steric substituent constants, but are as accurate as this model.