Evaluation of the GastroPlus™ Advanced Compartmental and Transit (ACAT) Model in Early Discovery
Pharmaceutical research（2016）
Abstract
The aim of this study was to evaluate the oral exposure predictions obtained early in drug discovery with a generic GastroPlus Advanced Compartmental And Transit (ACAT) model based on the in vivo intravenous blood concentration-time profile, in silico properties (lipophilicity, pKa) and in vitro high-throughput absorption-distribution-metabolism-excretion (ADME) data (as determined by PAMPA, solubility, liver microsomal stability assays).
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Key words
advanced compartmental and transit (ACAT),drug discovery,GastroPlus,oral absorption,physiologically based pharmacokinetics (PBPK)
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