This function solves for the amounts or concentrations of a chemical in different tissues as functions of time based on the dose and dosing frequency. It uses a three compartment model with partition coefficients.
solve_3comp(chem.name = NULL, chem.cas = NULL, times=NULL,
parameters=NULL, days=10, tsteps = 4, daily.dose = 1,dose=NULL,
doses.per.day=NULL, initial.values=NULL,plots=F, suppress.messages=F,
species="Human", iv.dose=F,output.units='uM',
method="lsoda",rtol=1e-8,
atol=1e-12,default.to.human=F,recalc.blood2plasma=F,
recalc.clearance=F,dosing.matrix=NULL,adjusted.Funbound.plasma=T,
regression=T,restrictive.clearance = T,...)Either the chemical name, CAS number, or the parameters must be specified.
Either the chemical name, CAS number, or the parameters must be specified.
Optional time sequence for specified number of days. The dosing sequence begins at the beginning of times.
Chemical parameters from parameterize_3comp function, overrides chem.name and chem.cas.
Length of the simulation.
The number time steps per hour.
Total daily dose, mg/kg BW.
Amount of a single dose, mg/kg BW. Overwrites daily.dose.
Number of doses per day.
Vector containing the initial concentrations or amounts of the chemical in specified tissues with units corresponding to output.units. Defaults are zero.
Plots all outputs if true.
Whether or not the output message is suppressed.
Species desired (either "Rat", "Rabbit", "Dog", "Mouse", or default "Human").
Simulates a single i.v. dose if true.
Desired units (either "mg/L", "mg", "umol", or default "uM").
Method used by integrator (deSolve).
Argument passed to integrator (deSolve).
Argument passed to integrator (deSolve).
Substitutes missing animal values with human values if true (hepatic intrinsic clearance or fraction of unbound plasma).
Recalculates the ratio of the amount of chemical in the blood to plasma using the input parameters, calculated with hematocrit, Funbound.plasma, and Krbc2pu.
Recalculates the the hepatic clearance (Clmetabolism) with new million.cells.per.gliver parameter.
Vector of dosing times or a matrix consisting of two columns or rows named "dose" and "time" containing the time and amount, in mg/kg BW, of each dose.
Uses adjusted Funbound.plasma when set to TRUE along with partition coefficients calculated with this value.
Whether or not to use the regressions in calculating partition coefficients.
Protein binding not taken into account (set to 1) in liver clearance if FALSE.
Additional arguments passed to the integrator.
A matrix of class deSolve with a column for time(in days) and each compartment, the plasma concentration, area under the curve, and a row for each time point.
Note that the model parameters have units of hours while the model output is in days.
Default of NULL for doses.per.day solves for a single dose.
The compartments used in this model are the gutlumen, gut, liver, and rest-of-body, with the plasma equivalent to the liver plasma.
# NOT RUN {
solve_3comp(chem.name='Bisphenol-A',doses.per.day=2,dose=.5,days=1,tsteps=2)
# }
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