A data base for partition of volatile organic compounds and drugs from blood/plasma/serum to brain, and an LFER analysis of the data.

@article{Abraham2006ADB,
  title={A data base for partition of volatile organic compounds and drugs from blood/plasma/serum to brain, and an LFER analysis of the data.},
  author={Michael H. Abraham and Adam Ibrahim and Yuan Zhao and William E. Acree},
  journal={Journal of pharmaceutical sciences},
  year={2006},
  volume={95 10},
  pages={2091-100}
}
Literature values of the in vivo distribution (BB) of drugs from blood, plasma, or serum to rat brain have been assembled for 207 compounds (233 data points). We find that data on in vivo distribution from blood, plasma, and serum to rat brain can all be combined. Application of our general linear free energy relationship (LFER) to the 207 compounds yields an equation in log BB, with R2=0.75 and a standard deviation, SD, of 0.33 log units. An equation for a training set predicts the test set of… CONTINUE READING

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