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. Author manuscript; available in PMC: 2015 Dec 1.
Published in final edited form as: Mol Pharm. 2015 Apr 23;12(5):1456–1466. doi: 10.1021/mp500783g

Table I.

Area under the receiver operating curve for bootstrapped sampling of measured or predicted permeability rate as a predictor of extensively metabolized and poorly metabolized drugs eliminated primarily as unchanged drug in either the bile or urine.

Extensive Metabolism vs
In vitro Model Elimination as unchanged drug (N) Renal elimination of unchanged drug (N) Biliary elimination of unchanged drug (N) Biliary vs Renal


Caco2 0.93±0.07 (11) 0.90±0.11(11) 0.82 (1) 0.53 (1)
MDCK 0.91 ± 0.03 (5) 0.95 ± 0.02 (5) 0.89 (1) 0.53 (1)
PAMPA 0.93 ± 0.05 (6) 0.95 ± 0.04 (6) --- 0.71 (1)
In silico Model
AP MDCK 0.78±0.03 0.82±0.04 0.81±0.05 0.56±0.09
AP Peff 0.74±0.03 0.76±0.04 0.69±0.07 0.58±0.09
VS+ CACO2 0.82±0.03 0.81±0.07 0.87±0.03 0.61±0.10

(N) represents the number of datasets

AP: ADMET Predictor

VS+: VolSurf+