get_lit_oral_equiv: Get Literature Oral Equivalent Dose

In httk: High-Throughput Toxicokinetics

Get Literature Oral Equivalent Dose

Description

This function converts a chemical plasma concetration to an oral equivalent dose using the values from the Wetmore et al. (2012) and (2013) publications and other literature.

Usage

get_lit_oral_equiv(
  conc,
  chem.name = NULL,
  chem.cas = NULL,
  dtxsid = NULL,
  suppress.messages = FALSE,
  which.quantile = 0.95,
  species = "Human",
  input.units = "uM",
  output.units = "mg",
  clearance.assay.conc = NULL,
  ...
)

Arguments

conc	Bioactive in vitro concentration in units of specified input.units, default of uM.
chem.name	Either the chemical name or the CAS number must be specified.
chem.cas	Either the CAS number or the chemical name 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
suppress.messages	Suppress output messages.
which.quantile	Which quantile from the SimCYP Monte Carlo simulation is requested. Can be a vector. Papers include 0.05, 0.5, and 0.95 for humans and 0.5 for rats.
species	Species desired (either "Rat" or default "Human").
input.units	Units of given concentration, default of uM but can also be mg/L.
output.units	Units of dose, default of 'mg' for mg/kg BW/ day or 'mol' for mol/ kg BW/ day.
clearance.assay.conc	Concentration of chemical used in measureing intrinsic clearance data, 1 or 10 uM.
...	Additional parameters passed to get_lit_css.

Value

Equivalent dose in specified units, default of mg/kg BW/day.

Author(s)

John Wambaugh

References

Wetmore, B.A., Wambaugh, J.F., Ferguson, S.S., Sochaski, M.A., Rotroff, D.M., Freeman, K., Clewell, H.J., Dix, D.H., Andersen, M.E., Houck, K.A., Allen, B., Judson, R.S., Sing, R., Kavlock, R.J., Richard, A.M., and Thomas, R.S., "Integration of Dosimetry, Exposure and High-Throughput Screening Data in Chemical Toxicity Assessment," Toxicological Sciences 125 157-174 (2012)

Wetmore, B.A., Wambaugh, J.F., Ferguson, S.S., Li, L., Clewell, H.J. III, Judson, R.S., Freeman, K., Bao, W, Sochaski, M.A., Chu T.-M., Black, M.B., Healy, E, Allen, B., Andersen M.E., Wolfinger, R.D., and Thomas R.S., "The Relative Impact of Incorporating Pharmacokinetics on Predicting in vivo Hazard and Mode-of-Action from High-Throughput in vitro Toxicity Assays" Toxicological Sciences, 132:327-346 (2013).

Wetmore, B. A., Wambaugh, J. F., Allen, B., Ferguson, S. S., Sochaski, M. A., Setzer, R. W., Houck, K. A., Strope, C. L., Cantwell, K., Judson, R. S., LeCluyse, E., Clewell, H.J. III, Thomas, R.S., and Andersen, M. E. (2015). "Incorporating High-Throughput Exposure Predictions with Dosimetry-Adjusted In Vitro Bioactivity to Inform Chemical Toxicity Testing" Toxicological Sciences, kfv171.

Examples

table <- NULL
for(this.cas in sample(get_lit_cheminfo(),50)) table <- rbind(table,cbind(
as.data.frame(this.cas),as.data.frame(get_lit_oral_equiv(conc=1,chem.cas=this.cas))))




get_lit_oral_equiv(0.1,chem.cas="34256-82-1")

get_lit_oral_equiv(0.1,chem.cas="34256-82-1",which.quantile=c(0.05,0.5,0.95))

httk documentation built on March 7, 2023, 7:26 p.m.