run_single_point: Run full adaptive single-point PK analysis

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

Run full adaptive single-point PK analysis

Description

Runs full adaptive single-point pharmacokinetic analysis to estimate CL, Vd, and ka across bolus, oral, and infusion dosing scenarios.

Usage

run_single_point(
  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	Character string specifying the route of administration. Must be one of "bolus", "oral", or "infusion".
half_life	Optional numeric value representing the elimination half-life of the drug. If not provided, half-life is estimated within run_single_point_base() using get_hf() applied to the pharmacokinetic observations.
dose_type	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. This parameter is passed directly to run_single_point_base().
pooled_ctrl	A list of pooled-analysis control options created using pooled_control(). These control time binning and time-after-dose rounding when pooled summaries are required.
ssctrl	A list of steady-state control options created using ss_control(). These govern assumptions and thresholds used when interpreting steady-state behavior in single-point logic.

Value

An object of class "single.point.lst" with results from the base and extended steps.

Author(s)

Zhonghui Huang

See Also

run_single_point_base, run_single_point_extra

Examples

# Example: Adaptive single-point PK analysis for bolus data
# Step 1: Preprocess the data
dat <- Oral_1CPT
out <- processData(dat)
# Step 2: Extract route and dose type info
froute <- out$Datainfo$Value[out$Datainfo$Infometrics == "Dose Route"]
fdose_type <- out$Datainfo$Value[out$Datainfo$Infometrics == "Dose Type"]
# Step 3: Estimate half life
half_life <- get_hf(dat = out$dat)$half_life_median
# Step 4: Run single-point analysis (CL, Vd, Ka if oral)
result <- run_single_point(
  dat = out$dat,
  route = froute,
  dose_type = fdose_type,
  half_life = half_life
)
# Step 5: View results
print(result$singlepoint.results)

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