Computational prediction of oral drug absorption based on absorption rate constants in humans.

@article{Linnankoski2006ComputationalPO,
  title={Computational prediction of oral drug absorption based on absorption rate constants in humans.},
  author={Johanna Linnankoski and Johanna M M{\"a}kel{\"a} and V P Ranta and Arto Urtti and Marjo Yliperttula},
  journal={Journal of medicinal chemistry},
  year={2006},
  volume={49 12},
  pages={3674-81}
}
Models for predicting oral drug absorption kinetics were developed by correlating absorption rate constants in humans (K(a)) with computational molecular descriptors. The K(a) values of a set of 22 passively absorbed drugs were derived from human plasma time-concentration profiles using a deconvolution approach. The K(a) values correlated well with experimental values of fraction of dose absorbed in humans (FA), better than the values of human jejunal permeability (P(eff)) which have previously… CONTINUE READING

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