apply_fup_adjustment: Correct the measured fraction unbound in plasma for lipid...

In httk: High-Throughput Toxicokinetics

Correct the measured fraction unbound in plasma for lipid binding

Description

This function uses the lipid binding correction estimated by Pearce et al. (2017) to decrease the fraction unbound in plasma (f_up). This correction assumes that there is additional in vivo binding to lipid, which has a greater impact on neutral lipophilic compounds.

Usage

apply_fup_adjustment(
  fup,
  fup.correction = NULL,
  Pow = NULL,
  pKa_Donor = NULL,
  pKa_Accept = NULL,
  suppress.messages = FALSE,
  minimum.Funbound.plasma = 1e-04
)

Arguments

fup	In vitro measured fraction unbound in plasma
fup.correction	Estimated correction to account for additional lipid binding in vivo (Pearce et al., 2017) from calc_fup_correction
Pow	The octanal:water equilibrium partition coefficient
pKa_Donor	A string containing hydrogen donor ionization equilibria, concatenated with commas. Can be "NA" if none exist.
pKa_Accept	A string containing hydrogen acceptance ionization equilibria, concatenated with commas. Can be "NA" if none exist.
suppress.messages	Whether or not the output message is suppressed.
minimum.Funbound.plasma	fup is not allowed to drop below this value (default is 0.0001).

Value

Fraction unbound in plasma adjusted to take into account binding in the in vitro assay

Author(s)

John Wambaugh

References

\insertRef

kilford2008hepatocellularhttk \insertRefwetmore2015incorporatinghttk

See Also

calc_fup_correction

httk documentation built on Sept. 11, 2024, 9:32 p.m.