View source: R/parameterize_fetal_pbtk.R
parameterize_fetal_pbtk | R Documentation |
This function initializes the parameters needed in the functions solve_fetal_pbtk by calling solve_pbtk and adding additional parameters.
parameterize_fetal_pbtk(
chem.cas = NULL,
chem.name = NULL,
dtxsid = NULL,
species = "Human",
fetal_fup_adjustment = TRUE,
return.kapraun2019 = TRUE,
suppress.messages = FALSE,
...
)
chem.cas |
Either the chemical name or the CAS number must be specified. |
chem.name |
Either the chemical name or the CAS number must be specified. |
dtxsid |
EPA's DSSTox Structure ID (https://comptox.epa.gov/dashboard) the chemical must be identified by either CAS, name, or DTXSIDs |
species |
Species desired (either "Rat", "Rabbit", "Dog", "Mouse", or default "Human"). Currently only a narrow human model is supported. |
fetal_fup_adjustment |
Logical indicator of whether to use an adjusted estimate for fetal fup based on the fetal:maternal plasma protein binding ratios presented in McNamara and Alcorn's 2002 study "Protein Binding Predictions in Infants." Defaults to TRUE. |
return.kapraun2019 |
If TRUE (default) the empirical parameters for the Kapraun et al. (2019) maternal-fetal growth parameters are provided. |
suppress.messages |
Whether or not the output message is suppressed. |
... |
Arguments passed to parameterize_pbtk. |
pre_pregnant_BW |
Body Weight before pregnancy, kg. |
Clmetabolismc |
Hepatic Clearance, L/h/kg BW. |
Fabsgut |
Fraction of the oral dose absorbed, i.e. the fraction of the dose that enters the gutlumen. |
Funbound.plasma |
Fraction of plasma that is not bound. |
Fhep.assay.correction |
The fraction of chemical unbound in hepatocyte assay using the method of Kilford et al. (2008) |
hematocrit |
Percent volume of red blood cells in the blood. |
Kgut2pu |
Ratio of concentration of chemical in gut tissue to unbound concentration in plasma. |
kgutabs |
Rate that chemical enters the gut from gutlumen, 1/h. |
Kkidney2pu |
Ratio of concentration of chemical in kidney tissue to unbound concentration in plasma. |
Kliver2pu |
Ratio of concentration of chemical in liver tissue to unbound concentration in plasma. |
Klung2pu |
Ratio of concentration of chemical in lung tissue to unbound concentration in plasma. |
Krbc2pu |
Ratio of concentration of chemical in red blood cells to unbound concentration in plasma. |
Krest2pu |
Ratio of concentration of chemical in rest of body tissue to unbound concentration in plasma. |
million.cells.per.gliver |
Millions cells per gram of liver tissue. |
MW |
Molecular Weight, g/mol. |
Qgfrc |
Glomerular Filtration Rate, L/h/kg BW^3/4, volume of fluid filtered from kidney and excreted. |
Rblood2plasma |
The ratio of the concentration of the chemical in the blood to the concentration in the plasma from available_rblood2plasma. |
Vgutc |
Volume of the gut per kg body weight, L/kg BW. |
Vkidneyc |
Volume of the kidneys per kg body weight, L/kg BW. |
Vliverc |
Volume of the liver per kg body weight, L/kg BW. |
Vlungc |
Volume of the lungs per kg body weight, L/kg BW. |
Vthyroidc |
Volume of the thyroid per kg body weight, L/kg BW. |
Kfgut2pu |
Ratio of concentration of chemical in fetal gut tissue to unbound concentration in plasma. |
Kfkidney2pu |
Ratio of concentration of chemical in fetal kidney tissue to unbound concentration in plasma. |
Kfliver2pu |
Ratio of concentration of chemical in fetal liver tissue to unbound concentration in plasma. |
Kflung2pu |
Ratio of concentration of chemical in fetal lung tissue to unbound concentration in plasma. |
Kfrest2pu |
Ratio of concentration of chemical in fetal rest of body tissue to unbound concentration in plasma. |
Kfbrain2pu |
Ratio of concentration of chemical in fetal brain tissue to unbound concentration in plasma. |
Kthyroid2pu |
Ratio of concentration of chemical in fetal thyroid tissue to unbound concentration in plasma. |
Kfthyroid2pu |
Ratio of concentration of chemical in fetal thyroid tissue to unbound concentration in plasma. |
Kplacenta2pu |
Ratio of concentration of chemical in placental tissue to unbound concentration in maternal plasma. |
Kfplacenta2pu |
Ratio of concentration of chemical in placental tissue to unbound concentration in fetal plasma. |
Robert Pearce, Mark Sfeir, John Wambaugh, and Dustin Kapraun
Mark Sfeir, Dustin Kapraun, John Wambaugh
kilford2008hepatocellularhttk
McNamara PJ, Alcorn J. Protein binding predictions in infants. AAPS PharmSci. 2002;4(1):E4. doi: 10.1208/ps040104. PMID: 12049488.
solve_fetal_pbtk
parameterize_pbtk
predict_partitioning_schmitt
apply_clint_adjustment
tissue.data
physiology.data
kapraun2019
parameters <- parameterize_fetal_pbtk(chem.cas='80-05-7')
parameters <- parameterize_fetal_pbtk(chem.name='Bisphenol-A',species='Rat')
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