get_lit_cheminfo {httk} | R Documentation |
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 BA, Wambaugh JF, Ferguson SS, Sochaski MA, Rotroff DM, Freeman K, Clewell III HJ, Dix DJ, Andersen ME, Houck KA, others (2012). “Integration of dosimetry, exposure, and high-throughput screening data in chemical toxicity assessment.” Toxicological Sciences, 125(1), 157–174. doi:10.1093/toxsci/kfr254.
Wetmore BA, Wambaugh JF, Ferguson SS, Li L, Clewell III HJ, Judson RS, Freeman K, Bao W, Sochaski MA, Chu T, others (2013). “Relative impact of incorporating pharmacokinetics on predicting in vivo hazard and mode of action from high-throughput in vitro toxicity assays.” toxicological sciences, 132(2), 327–346. doi:10.1093/toxsci/kft012.
Wetmore BA, Wambaugh JF, Allen B, Ferguson SS, Sochaski MA, Setzer RW, Houck KA, Strope CL, Cantwell K, Judson RS, others (2015). “Incorporating high-throughput exposure predictions with dosimetry-adjusted in vitro bioactivity to inform chemical toxicity testing.” Toxicological Sciences, 148(1), 121–136. doi:10.1093/toxsci/kfv171.
Examples
get_lit_cheminfo()
get_lit_cheminfo(info=c('CAS','MW'))