Open-Systems-Pharmacology / PK-Sim

PK-Sim® is a comprehensive software tool for whole-body physiologically based pharmacokinetic modeling
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Proteins: add parameter "Ontogeny like" #2601

Open PavelBal opened 1 year ago

PavelBal commented 1 year ago

It would be very useful to add a parameter "Ontogeny like" to the proteins that would store this information:

image

This way, ontogenies can be easily set in R when generating a population for a specific simulation.

msevestre commented 1 year ago

I do not understand this feature . the ontegny is saved as table formula in the expression profile now. I in fat do not know how this change that we just implanted will affect R. But since we are not (I believe) returning an expression profile object, setting the ontogeny that way is a bit useless.

from , there is BTW already a way of doing this https://www.open-systems-pharmacology.org/OSPSuite-R/articles/create-individual.html#adding-enzyme-ontogenies

I am closing. Please reopen and explain why we would need this is required

PavelBal commented 1 year ago

The idea was to have this information, so the ontogeny can be added as described in the article you referenced. Just to know what has been selected in PK-Sim.

Since the ontogeny is a table now, this might not be required any more.

PavelBal commented 1 year ago

Hmm it is still required for population simulations from R.

msevestre commented 1 year ago

How is this required? You can't vary ontogeny between individuals In a simulation . .as I said earlier, I don't understand what this parameter is, and how tis going to be used

PavelBal commented 1 year ago

This would be just a meta-information that can be used later in the code to add ontogenies when creating a simulation. Otherwise, I cannot know which ontogenies to add. Example would be something like this:

sim <- loadSimulation("simulation.pkml")
ontogenies <- list()
for (molecule in sim$allStationaryMoleculeNames()){
   ontogeny <- getParameter("Ontogeny", molecule, stopIfNotFound = FALSE)
   if (!is.null(ontogeny)){
    ontogenies[[molecule$name]] <- ontogeny
  }
}

popCharacteristics <- createPopulationCharacterstics(<...>, moleculeOntogenies = ontogenies)