solve_full_pregnancy: Solve_full_pregnancy

In httk: High-Throughput Toxicokinetics

Solve_full_pregnancy

Description

This function solves for the amounts (in umol) or concentrations (in uM) of a chemical in different tissues of a maternal-fetal system over the full course of human pregnancy given a dose and dosing frequency.

Usage

solve_full_pregnancy(
  chem.name = NULL,
  chem.cas = NULL,
  dtxsid = NULL,
  time.course = seq(0, 40 * 7, 1),
  dose = NULL,
  daily.dose = NULL,
  doses.per.day = NULL,
  class.exclude = TRUE,
  physchem.exclude = TRUE,
  track.vars = NULL,
  plt = FALSE
)

Arguments

chem.name	Either the chemical name, CAS number, or DTXSID must be specified.
chem.cas	Either the chemical name, CAS number, or DTXSID must be specified.
dtxsid	EPA's DSSTox Structure ID (http://comptox.epa.gov/dashboard)
time.course	Time sequence in days. Default is from 0th week of pregnancy to 40th, incremented by day.
dose	Amount of a single, initial dose (on day 0) in mg/kg BW.
daily.dose	Total daily dose, mg/kg BW for 40 weeks.
doses.per.day	Number of doses per day for 40 weeks.
class.exclude	Exclude chemical classes identified as outside of domain of applicability for fetal_pbtk and 1tri_pbtk models (i.e. PFAS chemicals).
physchem.exclude	Exclude chemicals on the basis of physico-chemical properties (currently only Henry's law constant) as specified by the modelinfo files for fetal_pbtk and 1tri_pbtk.
track.vars	which variables to return in solution output dataframe
plt	plots all outputs, if TRUE

Details

The simulation starts at the 0th week and ends at 40 weeks of pregnancy (term), covering all trimesters of human pregnancy. This is accomplished by stitching together the 1tri and fetal PBTK models with appropriate initial conditions, as described in Truong et al. (TBD).

Value

A matrix with columns for time (in days), each compartment, the area under the curve (for plasma vs time), and plasma, and a row for each time point.

Author(s)

Kimberly Truong

References

\insertRef

kapraun2022fetalmodelhttk

\insertRef

truong2025fullpregnancyhttk

See Also

solve_1tri_pbtk

solve_fetal_pbtk

parameterize_1tri_pbtk

parameterize_fetal_pbtk

Examples

# dosing schedule of 1 mg/kg BW/day for 40 weeks
# return solution by hour
out <- solve_full_pregnancy(chem.name = "fipronil",  
                           daily.dose = 1, 
                           doses.per.day = 1,
                           time.course = seq(0, 40*7, 1/24))
                   
                               
# return solution in chemical amounts for fetal compartments + placenta
maternal_compts <- c('gutlumen', 'gut', 'liver', 'kidney', 'lung', 'ven', 'art', 
'adipose','thyroid', 'rest')

fetal_compts <- c(maternal_compts[! maternal_compts %in% c('adipose', 'gutlumen') ], 
"brain")

amt.out <- solve_full_pregnancy(chem.name = "fipronil",  
                               daily.dose = 1, 
                               doses.per.day = 1,
                               time.course = seq(0, 40*7, 1), 
                               track.vars = c(paste0("Af", fetal_compts), "Aplacenta"))

# return solution in concentrations for fetal compartments + placenta 
conc.out <- solve_full_pregnancy(chem.name = "fipronil", 
                                daily.dose = 1, 
                                doses.per.day = 1,
                                time.course = seq(0, 40*7, 1), 
                                track.vars = c(paste0("Cf", fetal_compts), "Cplacenta"))

# plot solution based on output 
plt.out <- solve_full_pregnancy(chem.name = "genistein", 
                                dose = 1, plt = TRUE)

httk documentation built on June 8, 2025, 12:19 p.m.