run_npd_3cmpt_oral: Run and evaluate a three-compartment oral model

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

Run and evaluate a three-compartment oral model

Description

Fits a three-compartment oral pharmacokinetic model using a naive pooled data approach and evaluates model performance using prediction error metrics.

Usage

run_npd_3cmpt_oral(
  dat,
  est.method = "nls",
  input.ka = exp(1),
  input.cl = exp(1),
  input.vc3cmpt = exp(1),
  input.vp3cmpt = exp(1),
  input.vp23cmpt = exp(1),
  input.q3cmpt = exp(1),
  input.q23cmpt = exp(1),
  input.add = 1
)

Arguments

dat	A data frame containing pharmacokinetic data in the standard nlmixr2 format, including required columns such as ID, EVID, DV, and dose.
est.method	Estimation method used in nlmixr2. Defaults to "nls".
input.ka	Initial estimate for the absorption rate constant (Ka). Defaults to exp(1), corresponding to a log-scale value of 1.
input.cl	Initial estimate for clearance (CL). Defaults to exp(1), corresponding to a log-scale value of 1.
input.vc3cmpt	Initial estimate for central volume of distribution (Vc). Defaults to exp(1), corresponding to a log-scale value of 1.
input.vp3cmpt	Initial estimate for first peripheral volume (Vp1). Defaults to exp(1), corresponding to a log-scale value of 1.
input.vp23cmpt	Initial estimate for second peripheral volume (Vp2). Defaults to exp(1), corresponding to a log-scale value of 1.
input.q3cmpt	Initial estimate for intercompartmental clearance Q1. Defaults to exp(1), corresponding to a log-scale value of 1.
input.q23cmpt	Initial estimate for intercompartmental clearance Q2. Defaults to exp(1), corresponding to a log-scale value of 1.
input.add	Additive error term. Defaults to 1.

Details

Rows with EVID == 2 are excluded prior to model fitting. The model is fitted using Fit_3cmpt_oral, and prediction-based metrics are calculated to assess model performance.

Value

A list containing parameter estimates and prediction error metrics.

Author(s)

Zhonghui Huang

See Also

Fit_3cmpt_oral

Examples

run_npd_3cmpt_oral(
  dat = Oral_2CPT,
  input.cl = 4,
  input.vc3cmpt = 70,
  input.vp3cmpt = 40,
  input.vp23cmpt = 40,
  input.q3cmpt = 4,
  input.q23cmpt = 4
)

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