In the drug discovery setting, undesirable ADMET properties of a pharmacophore with good predictive
power obtained after a tedious drug discovery and development process may lead to late-stage attrition. The earlystage
ADMET profiling has brought a new dimension to lead drug development. Although several high-throughput
in vitro models are available for ADMET profiling, the in silico methods are gaining more importance because of
their economic and faster prediction ability without the requirements of tedious and expensive laboratory resources.
Nonetheless, in silico ADMET tools alone are not accurate, and therefore, ideally adopted along with in
vitro and or in vivo methods in order to enhance the predictability power. This review summarizes the significance
and challenges associated with the application of in silico tools as well as the possible scope of in vitro models for
integration to improve the ADMET predictability power of these tools.
Keywords: In silico, in vitro, ADMET profiling, drug discovery, predictive tools, molecular descriptors, computational tools.
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