httk (version 1.4)

get_wetmore_cheminfo: Get Wetmore Chemical Information.

Description

This function provides the information specified in "info=" for all chemicals with data from the Wetmore et al. (2012) and (2013) publications.

Usage

get_wetmore_cheminfo(info="CAS",species="Human")

Arguments

info

A single character vector (or collection of character vectors) from "Compound","CAS","MW","Raw.Experimental.Percentage.Unbound","Entered.Experimental.Percentage.Unbound","Fub","source_PPB","Renal_Clearance","Met_Stab","Met_Stab_entered" ,"r2","p.val","Concentration..uM.","Css_lower_5th_perc.mg.L.","Css_median_perc.mg.L.","Css_upper_95th_perc.mg.L.","Css_lower_5th_perc.uM.","Css_median_perc.uM.","Css_upper_95th_perc.uM.", and "Species".

species

Species desired (either "Rat" or default "Human").

Value

info

Table/vector containing values specified in "info" for valid chemicals.

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

get_wetmore_cheminfo()

get_wetmore_cheminfo(info=c('CAS','MW'))