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Open-Systems-Pharmacology / OSP-PBPK-Model-Library

Library of released PBPK substance models and evaluation reports
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Itraconazole (Model Library): Organ Permeability Not as Reported #49

Closed prvmalik closed 3 years ago

prvmalik commented 3 years ago

Hi all,

In itraconazole the report, it says that organ permeability was optimized to 0.111 cm/min. However, none of the simulations are configured to use this value. Instead, the PK-Sim calculated value is used, and indeed the fits are better.

What is the correct value to use?

StephanSchaller commented 3 years ago

@sfrechen ;-)

TWendl commented 3 years ago

Well spotted! It seems to be a relict of previous optimization attempts that were later discarded. I am pretty sure that using the PK-Sim calculated organ permeability is correct. @sfrechen please confirm!

prvmalik commented 3 years ago

Makes sense to me! - Paul

sfrechen commented 3 years ago

@prvmalik Thanks for careful reading the evaluation repot. Indeed, Thomas is right. The option represents a remnant from tries during model building. It should not be the default and is not needed. I opened an issue (see above) in the itraconazole repository and also removed it in the snapshot followed by a pull request (https://github.com/Open-Systems-Pharmacology/Itraconazole-Model/pull/9). The evaluation report will be latest updated with the next OSP release.