sim_sens_2cmpt: Parameter sweeping for a two-compartment pharmacokinetic...

In nlmixr2autoinit: Automatic Generation of Initial Estimates for Population Pharmacokinetic Modeling

Parameter sweeping for a two-compartment pharmacokinetic model

Description

Performs parameter sweeping by varying pharmacokinetic parameters in a two-compartment model under IV or oral dosing. Model fit is evaluated across combinations of CL, Vc, Vp, Q, and Ka (oral only).

Usage

sim_sens_2cmpt(
  dat,
  sim_ka = list(mode = "manual", values = NULL),
  sim_cl = list(mode = "manual", values = NULL),
  sim_vc = list(mode = "manual", values = NULL),
  sim_vp = list(mode = c("auto", "manual"), values = NULL),
  sim_q = list(mode = c("auto", "manual"), values = NULL, auto.strategy = c("scaled",
    "fixed")),
  route = c("iv", "oral"),
  verbose = TRUE
)

Arguments

dat	Pharmacokinetic dataset.
sim_ka	List specifying Ka (oral route only): mode: must be "manual" values: numeric vector
sim_cl	List specifying clearance (CL): mode: must be "manual" values: numeric vector
sim_vc	List specifying central volume (Vc): mode: must be "manual" values: numeric vector
sim_vp	List specifying peripheral volume (Vp): mode: "manual" or "auto" values: numeric vector if manual
sim_q	List specifying inter-compartmental clearance (Q): mode: "manual" or "auto" values: numeric vector if manual
route	Dosing route, either "iv" or "oral". Default is "iv".
verbose	Logical (default = TRUE). Controls whether progress information is displayed during parameter sweeping. When TRUE, a dynamic progress bar is shown using the progressr package to indicate simulation status and elapsed time. When FALSE, progress output is suppressed and the function runs silently.

Details

The function generates a parameter grid and performs model fitting for each combination using Fit_2cmpt_iv or Fit_2cmpt_oral. Parameters can be specified manually or automatically derived. Model predictions and fit metrics are computed for each simulation to assess parameter sensitivity.

Value

A data frame containing parameter combinations with model fit metrics.

Author(s)

Zhonghui Huang

See Also

Fit_2cmpt_iv, Fit_2cmpt_oral

Examples

out <- sim_sens_2cmpt(
  dat = Bolus_2CPT[Bolus_2CPT$ID<50,],
  sim_cl = list(mode = "manual", values = 4),
  sim_vc = list(mode = "manual", values = 50),
  sim_vp = list(mode = "auto"),
  sim_q  = list(mode = "auto"),
  sim_ka = list(mode = "manual", values = NA),
  route = "iv",verbose=FALSE
)
head(out[out$rRMSE2==min(out$rRMSE2),])

nlmixr2autoinit documentation built on Nov. 14, 2025, 1:07 a.m.