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AChE acid action applied approach bioassay biological activity biological variables butyrophenones calculated canonical correlation canonical discriminant Chapter chemical compounds correlation matrix covariance degrees of freedom denotes derivatives design matrix determined discriminant analysis discriminant function dispersion matrices doses drug design effects eigenvalues eigenvectors electrophiles equation error estimated example inhibition KANORA level or less LFER linear lipophilic listed in Table MANOVA MASCA mathematical mean values medicinal chemistry metabolic methods mg/kg molecular molecules multicollinearity multiple correlation multivariate normal distribution multivariate test NMe2 normal distribution null hypothesis obtained one-way classification opioids original variables oxime PCRA pharmacological physicochemical parameters population predictive principal component function PRINCO procedure QSAR receptor regression analysis regression coefficients regression matrix regressors rejected sample Section soman SP test steric structure substituent constant substituents techniques test statistics theoretical toxicity treatment groups two-way classification univariate variances vector zero