Distribution Fitting 3. Analysis under Normality Assumption
Sorana Daniela Bolboaca, Lorentz Jäntschi · 2009
Abstract. Four sets of experimental data were investigated in terms of normal distribution and presence of outliers. The following sets of compound were investigated: blood-brain barrier partitioning (n=105), inhibitory activity of para-substituted aromatic sulfonamides (n=47), inhibition activity of taxoids (n=63), and estrogen receptor binding affinity of triphenilacrylonitriles (n=25). The normality of experimental data was tested using the following tests: Jarque-Bera, Kormogorov-Smirnov, Anderson-Darling, Chi Square and Shapiro-Wilk. The Grubbs ’ test was applied for identification of outliers. The inhibitory activity of taxoids proved to be single set of compounds normal distributed according to all applied normality tests. A proper structure-activity relationships analysis must be conducted on the sample of 98 blood-brain barrier partitioning compounds, on the sample of 34 para-substituted aromatic sulfonamides, and on the sample of 22 estrogen receptor binding affinity of triphenilacrylonitriles.