One of the main goals of in silico Caco-2 cell permeability models is to identify those drug
substances with high intestinal absorption in human (HIA). For more than a decade, several in silico
Caco-2 models have been made, applying a wide range of modeling techniques; nevertheless, their capacity
for intestinal absorption extrapolation is still doubtful. There are three main problems related to
the modest capacity of obtained models, including the existence of inter- and/or intra-laboratory variability
of recollected data, the influence of the metabolism mechanism, and the inconsistent in vitro-in
vivo correlation (IVIVC) of Caco-2 cell permeability. This review paper intends to sum up the recent
advances and limitations of current modeling approaches, and revealed some possible solutions to improve
the applicability of in silico Caco-2 permeability models for absorption property profiling, taking
into account the above-mentioned issues.
Keywords: ADME, Caco-2 cell permeability, QSAR/QSPR, Biopharmaceutics classification system (BCS), Human intestinal
absorption, In Vitro-In Vivo correlation (IVIVC).
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