Predicting the Blood-Brain Barrier Permeability of New Drug-Like Compounds via HPLC with Various Stationary Phases.

The log k w values determined for the ODS (log k w, ODS ), IAM (log k w, IAM ) and Cholester (log k w , Cholester ) columns were intercorrelated and the following linear relationships with a very good statistical quality were obtained: (3) log k w, ODS = 0.691(± 0.094) + 0.982(± 0.044) log k w, IAM SD = 0.257; R 2 = 0.8880; N = 65 (4) log k w, ODS = 0.911(± 0.062) + 0.765(± 0.025) log k w, Cholester SD = 0.192; R 2 = 0.9371; N = 65 (5) log k w, IAM = 0.356(± 0.073) + 0.721(± 0.029) log k w, Cholester SD = 0.224; R 2 = 0.9068; N = 65 Moreover highly significant linear relationships were obtained between log k w and s values (intercepts and slopes of Equation (2)): for the ODS column: (6) log k w, ODS = −1.214(± 0.062) + 0.823(± 0.013) s ODS SD = 0.094; R 2 = 0.9850; N = 65 for the IAM column: (7) log k w, IAM = −0.779(± 0.026) + 0.638(± 0.006) s IAM SD = 0.052; R 2 = 0.9950; N = 65 and for the Cholester column: (8) log k w, Cholester = −0.892(± 0.040) + 0. 798(± 0.010) s Cholester SD = 0.092; R 2 = 0.9910; N = 65 2.2.

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