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    Sep 1, 2016
      |  Journal Article

    Evaluation of the GastroPlus™ Advanced Compartmental and Transit (ACAT) Model in Early Discovery

    Gobeau N, Stringer R, De Buck SS, Tuntland T, Faller B
    Keywords: advanced compartmental and transit (ACAT), drug discovery, oral absorption, physiologically based pharmacokinetics (PBPK)Software: GastroPlus®Publication: Pharm Res

    Purpose

    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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