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• W1984647595 startingPage "2091" @default.
• W1984647595 abstract "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 data with a standard deviation of 0.31 log units. We further find that the in vivo data cannot simply be combined with in vitro data on volatile organic and inorganic compounds, because there is a systematic difference between the two sets of data. Use of an indicator variable allows the two sets to be combined, leading to a LFER equation for 302 compounds (328 data points) with R2 = 0.75 and SD = 0.30 log units. A training equation was then used to predict a test set with SD = 0.25 log units." @default.
• W1984647595 created "2016-06-24" @default.
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• W1984647595 date "2006-10-01" @default.
• W1984647595 modified "2023-10-10" @default.
• W1984647595 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" @default.
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• W1984647595 doi "https://doi.org/10.1002/jps.20595" @default.
• W1984647595 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/16886177" @default.
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