get_wetmore_cheminfo: Get literature Chemical Information. (deprecated).

In httk: High-Throughput Toxicokinetics

Get literature Chemical Information. (deprecated).

Description

This function is included for backward compatibility. It calls get_lit_cheminfo which provides the information specified in "info=" for all chemicals with data from the Wetmore et al. (2012) and (2013) publications and other literature.

Usage

get_wetmore_cheminfo(
  info = "CAS",
  species = "Human",
  suppress.messages = FALSE
)

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").
suppress.messages	Whether or not the output message is suppressed.

Value

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

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

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

httk documentation built on Sept. 11, 2024, 9:32 p.m.