QSAR quantitative structure-activity discriminant analysis

CH2-CH2-N-CH2-CH2 (179), and linear discriminant analysis with topological descriptors (180). In 1997 the first 3D-QSAR (quantitative structure-activity relationships) analysis of phenothiazines and related drugs known to be P-gp inhibitors was described... 

In addition, traditional quantitative structure-activity relationship (QSAR) models were reported. Gozalbes et al. attempted to predict the blood-brain barrier permeabilities of four arylacetamides using linear discriminant analysis [65], while Medina-Franco et al. discriminated between active and inactive BCG compounds using two-dimensional (2D) and three-dimensional (3D) structural-similarity methods [66]. 

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