Computational Prediction of Drug Solubility in Fasted Simulated and Aspirated Human Intestinal Fluid

@inproceedings{Fagerberg2014ComputationalPO,
  title={Computational Prediction of Drug Solubility in Fasted Simulated and Aspirated Human Intestinal Fluid},
  author={Jonas H. Fagerberg and Eva M Karlsson and Johan Ulander and Gunilla Hanisch and Christel A. S. Bergstr{\"o}m},
  booktitle={Pharmaceutical Research},
  year={2014}
}
PurposeTo develop predictive models of apparent solubility (Sapp) of lipophilic drugs in fasted state simulated intestinal fluid (FaSSIF) and aspirated human intestinal fluid (HIF).MethodsMeasured Sapp values in FaSSIF, HIF and phosphate buffer pH 6.5 (PhBpH6.5) for 86 lipophilic drugs were compiled and divided into training (Tr) and test (Te) sets. Projection to latent structure (PLS) models were developed through variable selection of calculated molecular descriptors. Experimentally… CONTINUE READING
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