hybrid_eval_perf_1cmpt: Generate Unique Mixture Parameter Grid (with Deduplication...

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

Generate Unique Mixture Parameter Grid (with Deduplication and NA Removal)

Description

Constructs a grid of all combinations of ka, cl, and vd parameters from different sources (e.g., simpcal, graph, NCA methods), and removes combinations that are redundant based on relative tolerance. Only oral routes consider ka value for deduplication. Any parameter value set that includes NA is removed up front.

Usage

hybrid_eval_perf_1cmpt(
  route = "bolus",
  dat,
  sp_out_ka,
  sp_out_cl,
  sp_out_vd,
  graph_out_ka,
  graph_out_cl,
  graph_out_vd,
  nca_fd_ka,
  nca_fd_cl,
  nca_fd_vd,
  nca_efd_ka,
  nca_efd_cl,
  nca_efd_vd,
  nca_all_ka,
  nca_all_cl,
  nca_all_vd,
  verbose = TRUE
)

Arguments

route	Route of administration. Must be one of bolus, oral, or infusion.
dat	A data.frame containing PK data with columns such as EVID and DV.
sp_out_ka	Numeric; ka estimated from adaptive single-point methods.
sp_out_cl	Numeric; clearance estimated from adaptive single-point methods.
sp_out_vd	Numeric; volume of distribution estimated from adaptive single-point methods.
graph_out_ka	Numeric; ka estimated from naive pooled graphic methods.
graph_out_cl	Numeric; clearance estimated from naive pooled graphic methods.
graph_out_vd	Numeric; volume of distribution estimated from naive pooled graphic methods.
nca_fd_ka	Numeric; ka estimated from naive pooled NCA using first-dose data.
nca_fd_cl	Numeric; clearance estimated from naive pooled NCA using first-dose data.
nca_fd_vd	Numeric; volume of distribution estimated from naive pooled NCA using first-dose data.
nca_efd_ka	Numeric; ka estimated from naive pooled NCA using repeated-dose data.
nca_efd_cl	Numeric; clearance estimated from naive pooled NCA using repeated-dose data.
nca_efd_vd	Numeric; volume of distribution estimated from naive pooled NCA using repeated-dose data.
nca_all_ka	Numeric; ka estimated from naive pooled NCA using combined first- and repeated-dose data.
nca_all_cl	Numeric; clearance estimated from naive pooled NCA using combined first- and repeated-dose data.
nca_all_vd	Numeric; volume of distribution estimated from naive pooled NCA using combined first- and repeated-dose data.
verbose	Logical; if TRUE (default), displays a textual progress bar during model evaluation using the 'progressr' package. Set to FALSE to run silently without showing progress information, which is recommended for automated analyses or CRAN checks.

Value

A data.frame of unique parameter combinations with source labels and values.

Examples

dat <- Bolus_1CPT
# Example parameter estimates from different methods
sp_out_ka <- 1.2; sp_out_cl <- 3.5; sp_out_vd <- 50
graph_out_ka <- 1.1; graph_out_cl <- 3.6; graph_out_vd <- 52
nca_fd_ka <- 1.3; nca_fd_cl <- 3.4; nca_fd_vd <- 49
nca_efd_ka <- NA;  nca_efd_cl <- NA;  nca_efd_vd <- NA
nca_all_ka <- 1.25; nca_all_cl <- 3.55; nca_all_vd <- 51
# Run hybrid evaluation (silent)
 hybrid_eval_perf_1cmpt(
  route = "oral",
  dat = dat,
  sp_out_ka = sp_out_ka, sp_out_cl = sp_out_cl, sp_out_vd = sp_out_vd,
  graph_out_ka = graph_out_ka, graph_out_cl = graph_out_cl, graph_out_vd = graph_out_vd,
  nca_fd_ka = nca_fd_ka, nca_fd_cl = nca_fd_cl, nca_fd_vd = nca_fd_vd,
  nca_efd_ka = nca_efd_ka, nca_efd_cl = nca_efd_cl, nca_efd_vd = nca_efd_vd,
  nca_all_ka = nca_all_ka, nca_all_cl = nca_all_cl, nca_all_vd = nca_all_vd,
  verbose = FALSE
)

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