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When creating a total hepatic clearance process for a compound, a lipophilicity value is used to calculate certain parameters:
When the process is created, the lipophilicity is taken from the compound. However, if the lipophilicity is changed later on (e.g., in a parameter identification), the value in the reaction is not adjusted, leading to a wrong IVIVE.
I propose to implement the lipophilicity value in the reaction as a formula referencing the lipophilicity of the compound.
What is not entirely clear to me - should the parameters Blood/Plasma concentration ratio and Partition coefficient (water/protein) be dependent on the partitioning calculation method selected for the simulation? @Proen1@StephanSchaller what do you think?
When creating a total hepatic clearance process for a compound, a lipophilicity value is used to calculate certain parameters:
When the process is created, the lipophilicity is taken from the compound. However, if the lipophilicity is changed later on (e.g., in a parameter identification), the value in the reaction is not adjusted, leading to a wrong IVIVE.
I propose to implement the lipophilicity value in the reaction as a formula referencing the lipophilicity of the compound.
What is not entirely clear to me - should the parameters
Blood/Plasma concentration ratio
andPartition coefficient (water/protein)
be dependent on the partitioning calculation method selected for the simulation? @Proen1 @StephanSchaller what do you think?Open-Systems-Pharmacology/MoBi#1328
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