This function calculates the analytic steady state plasma or venous blood concentrations as a result of infusion dosing.
calc_analytic_css_1comp(
chem.name = NULL,
chem.cas = NULL,
dtxsid = NULL,
parameters = NULL,
dosing = list(daily.dose = 1),
hourly.dose = NULL,
dose.units = "mg",
concentration = "plasma",
suppress.messages = FALSE,
recalc.blood2plasma = FALSE,
tissue = NULL,
restrictive.clearance = TRUE,
bioactive.free.invivo = FALSE,
Caco2.options = list(),
...
)Steady state plasma concentration in mg/L units
Either the chemical name, CAS number, or the parameters must be specified.
Either the chemical name, CAS number, or the parameters must be specified.
EPA's 'DSSTox Structure ID (https://comptox.epa.gov/dashboard) the chemical must be identified by either CAS, name, or DTXSIDs
Chemical parameters from parameterize_pbtk (for model = 'pbtk'), parameterize_3comp (for model = '3compartment), parameterize_1comp(for model = '1compartment') or parameterize_steadystate (for model = '3compartmentss'), overrides chem.name and chem.cas.
List of dosing metrics used in simulation, which includes the namesake entries of a model's associated dosing.params. For steady-state calculations this is likely to be either "daily.dose" for oral exposures or "Cinhaled" for inhalation.
Hourly dose rate mg/kg BW/h.
The units associated with the dose received.
Desired concentration type, 'blood' or default 'plasma'.
Whether or not the output message is suppressed.
Recalculates the ratio of the amount of chemical in the blood to plasma using the input parameters. Use this if you have altered hematocrit, Funbound.plasma, or Krbc2pu.
Desired tissue conentration (defaults to whole body concentration.)
If TRUE (default), then only the fraction of chemical not bound to protein is available for metabolism in the liver. If FALSE, then all chemical in the liver is metabolized (faster metabolism due to rapid off-binding).
If FALSE (default), then the total concentration is treated as bioactive in vivo. If TRUE, the the unbound (free) plasma concentration is treated as bioactive in vivo. Only works with tissue = NULL in current implementation.
A list of options to use when working with Caco2 apical to
basolateral data Caco2.Pab, default is Caco2.options = list(Caco2.Pab.default = 1.6,
Caco2.Fabs = TRUE, Caco2.Fgut = TRUE, overwrite.invivo = FALSE, keepit100 = FALSE). Caco2.Pab.default sets the default value for
Caco2.Pab if Caco2.Pab is unavailable. Caco2.Fabs = TRUE uses Caco2.Pab to calculate
fabs.oral, otherwise fabs.oral = Fabs. Caco2.Fgut = TRUE uses Caco2.Pab to calculate
fgut.oral, otherwise fgut.oral = Fgut. overwrite.invivo = TRUE overwrites Fabs and Fgut in vivo values from literature with
Caco2 derived values if available. keepit100 = TRUE overwrites Fabs and Fgut with 1 (i.e. 100 percent) regardless of other settings.
See get_fbio for further details.
Additional parameters passed to parameterize function if parameters is NULL.
Robert Pearce and John Wambaugh
calc_analytic_css
parameterize_1comp