httk: get_lit_cheminfo – R documentation

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get_lit_cheminfo

Get literature 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 and other literature.

Usage

get_lit_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.

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

High-Throughput Toxicokinetics

v2.0.4

GPL-3

Authors

John Wambaugh [aut, cre] (<https://orcid.org/0000-0002-4024-534X>), Robert Pearce [aut] (<https://orcid.org/0000-0003-3168-4049>), Caroline Ring [aut] (<https://orcid.org/0000-0002-0463-1251>), Greg Honda [aut] (<https://orcid.org/0000-0001-7713-9850>), Mark Sfeir [aut], Matt Linakis [aut] (<https://orcid.org/0000-0003-0526-2395>), Sarah Davidson [aut] (<https://orcid.org/0000-0002-2891-9380>), Miyuki Breen [ctb] (<https://orcid.org/0000-0001-8511-4653>), Shannon Bell [ctb], Xiaoqing Chang [ctb] (<https://orcid.org/0000-0003-0752-1848>), Jimena Davis [ctb], James Sluka [ctb] (<https://orcid.org/0000-0002-5901-1404>), Nisha Sipes [ctb] (<https://orcid.org/0000-0003-4203-6426>), Barbara Wetmore [ctb] (<https://orcid.org/0000-0002-6878-5348>), Woodrow Setzer [ctb] (<https://orcid.org/0000-0002-6709-9186>)

Initial release

2021-05-07