run_single_point_base: Run adaptive single-point pharmacokinetic analysis

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

Run adaptive single-point pharmacokinetic analysis

Description

Implements adaptive single-point pharmacokinetic analysis to calculate clearance and volume of distribution.

Usage

run_single_point_base(
  dat,
  route = c("bolus", "oral", "infusion"),
  half_life = NULL,
  dose_type = NULL,
  pooled_ctrl = pooled_control(),
  ssctrl = ss_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.
half_life	Optional numeric value for drug half-life. If not provided, it is estimated from the dataset.
dose_type	Specifies the dosing context of the pharmacokinetic observations. Required when half_life is not provided. 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_ctrl	Optional list of control parameters used by get_pooled_data() for pooling observations. Defaults to output from pooled_control().
ssctrl	A list of control parameters generated by ss_control() to guide the detection of steady-state observations.

Details

This function integrates clearance and volume estimation into a unified adaptive workflow, using steady-state pharmacokinetic observations and trimmed mean statistics to reduce the influence of outliers.

Value

A list containing:

• summary: a data frame with trimmed mean clearance and volume of distribution, and run time information

• dat: the processed dataset used for analysis

• cl_df: individual clearance estimates

• vd_df: individual volume of distribution estimates

See Also

calculate_cl, calculate_vd, pooled_control, ss_control

Examples

dat <- Bolus_1CPT
out <- processData(dat)
fdat <- out$dat
route <- out$Datainfo$Value[out$Datainfo$Infometrics == "Dose Route"]
half_life <- get_hf(dat = fdat)$half_life_median
run_single_point_base(dat = fdat, half_life = half_life, route = route)$summary

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