A comparative QSAR study of benzamidines complement-inhibitory activity and benzene derivatives acute toxicity

A novel QSAR study of benzamidines complement-inhibitory activity and benze ne derivatives acute toxicity is reported and a new efficient method for se lecting descriptors is used. Complement-inhibitory activity QSAR models of benzamidines contain from one to five descriptors. The best, according to f itted and cross-validated statistical parameters, is shown to be the five-d escriptor model. Models with a higher number of indices did not improve ove r the five-descriptor model. The benzene derivatives structure-toxicity mod els involve up to seven linear descriptors. Multiregression models, contain ing up to ten nonlinear descriptors, are also reported for the sake of comp arison with previously obtained additivity models. Comparison with benzamid ine complement-inhibitory activity models and with benzene derivatives toxi city models from the literature favors our novel approach. (C) 2000 Elsevie r Science Ireland Ltd. All rights reserved.