run_graphcal: Run graphical analysis of pharmacokinetic parameters

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

Run graphical analysis of pharmacokinetic parameters

Description

Performs graphical estimation of pharmacokinetic parameters based on pooled concentration–time data and the specified route of administration.

Usage

run_graphcal(
  dat,
  route,
  dose_type = c("first_dose", "repeated_doses", "combined_doses"),
  pooled = NULL,
  pooled_ctrl = pooled_control(),
  ...
)

Arguments

dat	A data frame containing raw time–concentration data in the standard nlmixr2 format.
route	Route of administration. Must be one of bolus, oral, or infusion.
dose_type	Specifies the dosing context of the pharmacokinetic observations. Classified as first_dose, repeated_doses, or combined_doses based on whether observed concentrations occur following the first administration, during repeated dosing, or across both contexts.
pooled	Optional pooled dataset. If NULL, pooling is performed internally.
pooled_ctrl	Control settings created by pooled_control() for time binning and pooling.
...	Additional arguments passed to graphical calculation functions.

Details

The function pools individual profiles using get_pooled_data() when needed, and then applies route-specific graphical methods (graphcal_iv or graphcal_oral) to estimate parameters such as clearance, volume of distribution, terminal slope, and absorption rate constant (for oral data).

Value

A list containing graphical estimates of key pharmacokinetic parameters.

Author(s)

Zhonghui Huang

See Also

graphcal_iv, graphcal_oral, get_pooled_data

Examples

# Example 1 (iv case)
dat <- Bolus_1CPT
dat <- processData(dat)$dat
run_graphcal(dat, route="bolus")

# Example 2 (oral case)
dat <- Oral_1CPT
dat <- processData(dat)$dat
run_graphcal(dat, route="oral")

# Example 3 (infusion case).
# Approximate calculation. only use when the infusion duration is very short

dat <- Infusion_1CPT
dat <- processData(dat)$dat
run_graphcal(dat, route="infusion")

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