get_params_httk_gas_pbtk: Get parameters to fit `httk`'s `gas_pbtk` PBPK model

Description

Get parameters to fit the `gas_pbtk` model from the `httk` package (Wambaugh, Schacht, and Ring. 2025).

Usage

get_params_httk_gas_pbtk(
  data,
  lower_bound = NULL,
  upper_bound = NULL,
  param_units = alist(BW = "kg", Caco2.Pab = "1E-6 cm/s", Caco2.Pab.dist = "1E-6 cm/s",
    Clint = "uL/min/10^6 hepatocytes", Clint.dist = "uL/min/10^6 hepatocytes",
    Clmetabolismc = "L/h/kg BW", Funbound.plasma = "unitless fraction",
    Funbound.plasma.dist = "unitless fraction", Funbound.plasma.adjustment =
    "unitless coefficient", Fabsgut = "fraction", Fhep.assay.correction = "fraction",
    hematocrit = "percent volume RBCs in blood", Kgut2pu = "unitless ratio", Krbc2pu =
    "unitless ratio", kgutabs = "rate (1/hr)", Kkidney2pu = "unitless ratio", 
    
    Klung2pu = "unitless ratio", km =
    "Michaelis-Menten concentration of half-maximal activity", Kmuc2air =
    "unitless ratio", Kliver2pu = "unitless ratio", Krest2pu = "unitless ratio",
    Kblood2air = "unitless ratio", kUrtc = "L/h/kg BW^(3/4)", liver.density = "g/cm^3",
    logHenry = "log10(atmosphers*m^3/mole)", million.cells.per.gliver = "cells/g liver",
    MW = "g/mol", Pow = "octanol:water partition coefficinet", pKa_Donor = "logarithmic",
    pKa_Accept = "logarithmic", MA = "phospholipid:water distribution coefficient", 
    
    Qcardiacc = "L/h/kg BW^(3/4)", Qgfrc = "fraction", Qgutf = "fraction", Qliverf =
    "fraction", Qalvc = "L/h/kg BW^(3/4)", Qkidneyf = "fraction", Qlungf = "fraction",
    Rblood2plasma = "unitless ratio", Vgutc = "L/kg BW", Vliverc = "L/kg BW", Vartc =
    "L/kg BW", Vkidneyc = "L/kg BW", Vlungc = "L/kg BW", vmax =
    "max reaction velocity 1/min", Vmucc = "L/kg BW", Vvenc = "L/kg BW", Vrestc =
    "L/kg BW", KFsummary = "unitless", Fprotein.plasma = "fraction", fabs.oral =
    "fraction", Qgut_ = "fraction", Qintesttransport = "fraction"),
  restrictive = TRUE,
  ...
)

Value

A vector of blood or plasma concentration values corresponding to `time`.

Arguments

data: The data set to be fitted (e.g. the result of [preprocess_data()])
lower_bound: A mapping specified using a call to [alist()], giving the lower bounds for each variable, as expressions which may include variables in `data`.
upper_bound: A mapping specified using a call to [alist()], giving the upper bounds for each variable, as expressions which may include variables in `data`.
param_units: A mapping specified using a call to [alist()], giving the units for each variable, as expressions which may include variables in `data`.
restrictive: A logical value (TRUE or FALSE. Default: FALSE) that says whether the assumption is that the clearance is restrictive or non-restrictive
...: Other parameters that can be specified in `pk_model`.

Required parameters

These are given by the parameterize_3comp2 function in `httk`. Furthermore, they are transformed to a vector during hte prefitting process.

Author