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QSAR Prediction of Passive Permeability in the LLC-PK1 Cell Line: Trends in Molecular Properties and Cross-Prediction of Caco-2 Permeabilities

✍ Scribed by Edward C. Sherer; Andreas Verras; Maria Madeira; William K. Hagmann; Robert P. Sheridan; Drew Roberts; Kelly Bleasby; Wendy D. Cornell


Book ID
112143608
Publisher
Wiley (John Wiley & Sons)
Year
2012
Tongue
English
Weight
885 KB
Volume
31
Category
Article
ISSN
1868-1743

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The in vitro determination of the permeability through cultured Caco-2 cells is the most often-used in vitro model for drug absorption. In this report, we use the largest data set of measured P(Caco-2), consisting of 157 structurally diverse compounds. Linear discriminant analysis (LDA) was used to