httk: available_rblood2plasma – R documentation

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available_rblood2plasma

Find the best available ratio of the blood to plasma concentration constant.

Description

This function finds the best available constant ratio of the blood concentration to the plasma concentration, using get_rblood2plasma and calc_rblood2plasma.

Usage

available_rblood2plasma(
  chem.cas = NULL,
  chem.name = NULL,
  dtxsid = NULL,
  species = "Human",
  adjusted.Funbound.plasma = TRUE,
  suppress.messages = FALSE
)

Arguments

`chem.cas`	Either the CAS number or the chemical name must be specified.
`chem.name`	Either the chemical name or the CAS number must be specified.
`dtxsid`	EPA's 'DSSTox Structure ID (https://comptox.epa.gov/dashboard) the chemical must be identified by either CAS, name, or DTXSIDs
`species`	Species desired (either "Rat", "Rabbit", "Dog", "Mouse", or default "Human").
`adjusted.Funbound.plasma`	Whether or not to use Funbound.plasma adjustment if calculating Rblood2plasma.
`suppress.messages`	Whether or not to display relevant warning messages to user.

Details

Either retrieves a measured blood:plasma concentration ratio from the chem.physical_and_invitro.data table or calculates it using the red blood cell partition coefficient predicted with Schmitt's method

If available, in vivo data (from chem.physical_and_invitro.data) for the given species is returned, substituting the human in vivo value when missing for other species. In the absence of in vivo data, the value is calculated with calc_rblood2plasma for the given species. If Funbound.plasma is unvailable for the given species, the human Funbound.plasma is substituted. If none of these are available, the mean human Rblood2plasma from chem.physical_and_invitro.data is returned. details than the description above ~~

Value

The blood to plasma chemical concentration ratio – measured if available, calculated if not.

Author(s)

Robert Pearce

Examples

available_rblood2plasma(chem.name="Bisphenol A",adjusted.Funbound.plasma=FALSE)
available_rblood2plasma(chem.name="Bisphenol A",species="Rat")

httk

High-Throughput Toxicokinetics

v2.0.4

GPL-3

Authors

John Wambaugh [aut, cre] (<https://orcid.org/0000-0002-4024-534X>), Robert Pearce [aut] (<https://orcid.org/0000-0003-3168-4049>), Caroline Ring [aut] (<https://orcid.org/0000-0002-0463-1251>), Greg Honda [aut] (<https://orcid.org/0000-0001-7713-9850>), Mark Sfeir [aut], Matt Linakis [aut] (<https://orcid.org/0000-0003-0526-2395>), Sarah Davidson [aut] (<https://orcid.org/0000-0002-2891-9380>), Miyuki Breen [ctb] (<https://orcid.org/0000-0001-8511-4653>), Shannon Bell [ctb], Xiaoqing Chang [ctb] (<https://orcid.org/0000-0003-0752-1848>), Jimena Davis [ctb], James Sluka [ctb] (<https://orcid.org/0000-0002-5901-1404>), Nisha Sipes [ctb] (<https://orcid.org/0000-0003-4203-6426>), Barbara Wetmore [ctb] (<https://orcid.org/0000-0002-6878-5348>), Woodrow Setzer [ctb] (<https://orcid.org/0000-0002-6709-9186>)

Initial release

2021-05-07