Explorations into modeling human oral bioavailability.

  title={Explorations into modeling human oral bioavailability.},
  author={Zhi Wang and Aixia Yan and Qipeng Yuan and Johann Gasteiger},
  journal={European journal of medicinal chemistry},
  volume={43 11},
Explorations into modeling human oral bioavailability started with a whole dataset of 772 drug compounds. First, training set and test set were chosen based on Kohonen's self-organizing Neural Network (KohNN). Then, a quantitative model of the whole dataset was built using multiple linear regression (MLR) analysis. This model had limited predictability emphasizing that a variety of pharmacokinetic factors influence human oral bioavailability. In order to explore whether better models can be… CONTINUE READING

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