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PK-Sim® is a comprehensive software tool for whole-body physiologically based pharmacokinetic modeling
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Compound Building Block: Wrong value origin for aqueous diffusion coefficient #2975

Open AndreDlm opened 1 week ago

AndreDlm commented 1 week ago

In the compound building block, section Advanced Parameters, the following source is given for the parameter Aqueous diffusion coefficient:

image

However, this source is wrong. The equation has been reported in the following paper (Eq. 10):

Avdeef A, Nielsen PE, Tsinman O. PAMPA--a drug absorption in vitro model 11. Matching the in vivo unstirred water layer thickness by individual-well stirring in microtitre plates. Eur J Pharm Sci. 2004 Aug;22(5):365-74. doi: 10.1016/j.ejps.2004.04.009. PMID: 15265506.