Wetmore_Oral_Equiv: Get Wetmore Oral Equivalent Dose

In wwiecek/httkgui: High-Throughput Toxicokinetics: Analtica Laser prototype

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.

Usage

get_wetmore_oral_equiv(conc,chem.name=NULL,chem.cas=NULL,suppress.messages=F,
                       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.
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.
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").
clearance.assay.conc	Concentration of chemical used in measureing intrinsic clearance data, 1 or 10 uM.
...	Additional parameters passed to get_wetmore_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_wetmore_cheminfo(),50)) table <- rbind(table,cbind(
as.data.frame(this.cas),as.data.frame(get_wetmore_oral_equiv(conc=1,chem.cas=this.cas))))




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

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

wwiecek/httkgui documentation built on May 15, 2019, 6:31 p.m.