sim_sens_1cmpt_mm: Parameter sweeping for a one-compartment Michaelis-Menten...

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

Parameter sweeping for a one-compartment Michaelis-Menten model

Description

Performs parameter sweeping by varying pharmacokinetic parameters in a one-compartment model with Michaelis-Menten elimination.

Usage

sim_sens_1cmpt_mm(
  dat,
  sim_vmax = list(mode = "auto", values = NULL, est.cl = NULL),
  sim_km = list(mode = "auto", values = NULL),
  sim_vd = list(mode = "manual", values = NULL),
  sim_ka = list(mode = "manual", values = NULL),
  route = c("iv", "oral"),
  verbose = TRUE
)

Arguments

dat	A data frame containing raw time–concentration data in the standard nlmixr2 format.
sim_vmax	List specifying Vmax: mode: "manual" or "auto" values: numeric vector if mode = "manual" est.cl: required if mode = "auto"
sim_km	List specifying Km: mode: "manual" or "auto" values: numeric vector if mode = "manual"
sim_vd	List specifying Vd: mode: must be "manual" values: numeric vector
sim_ka	List specifying Ka (oral route only): mode: must be "manual" values: numeric vector
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_1cmpt_mm_iv. 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 and model fit metrics.

Author(s)

Zhonghui Huang

See Also

Fit_1cmpt_mm_iv, Fit_1cmpt_mm_oral

Examples

# Example: IV dosing scenario with automatic Vmax and Km
out <- sim_sens_1cmpt_mm(
  dat = Bolus_1CPTMM[Bolus_1CPTMM$ID<50,],
  sim_vmax = list(mode = "auto", est.cl = 4),
  sim_km   = list(mode = "auto"),
  sim_vd   = list(mode = "manual", values = 70),
  sim_ka   = list(mode = "manual", values = NA),
  route = "iv"
)
head(out[out$rRMSE2==min(out$rRMSE2),])

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