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Open-Systems-Pharmacology / PK-Sim

PK-Sim® is a comprehensive software tool for whole-body physiologically based pharmacokinetic modeling
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Improve solubility handling in PK-Sim #2448

Open AndreDlm opened 1 year ago

AndreDlm commented 1 year ago

Currently, the options to use solubility as input in PK-Sim are rather limited; I would appreciate the possibility in PK-Sim to include further solubility-related parameters as advanced parameters e.g. a bile-salt mediated solubility (to account for the effect of local (intraluminal) bile salt concentrations on solubility), amorphous solubility, different solubilities for different crystalline forms, etc. All of these solubilities should feed into a 'global' solubility which should be used for calculation of intraluminal drug concentrations. Also, this may need to be linked to respective dissolution functions and other organism-related physiological parameters (e.g. local bile salt concentrations), so it's not an easy task but very important in my opinion. Of course, this is all possible in MoBi but rather cumbersome...

Yuri05 commented 1 year ago

@AndreDlm Detailed spec is required, so assigning the issue to you 🙂