get_wetmore_oral_equiv {httk} | R Documentation |
Get Literature Oral Equivalent Dose (deprecated).
Description
This function is included for backward compatibility. It calls
get_lit_oral_equiv
which
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_wetmore_oral_equiv(
conc,
chem.name = NULL,
chem.cas = 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. |
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))