R Under development (unstable) (2025-04-29 r88182 ucrt) -- "Unsuffered Consequences" Copyright (C) 2025 The R Foundation for Statistical Computing Platform: x86_64-w64-mingw32/x64 R is free software and comes with ABSOLUTELY NO WARRANTY. You are welcome to redistribute it under certain conditions. Type 'license()' or 'licence()' for distribution details. R is a collaborative project with many contributors. Type 'contributors()' for more information and 'citation()' on how to cite R or R packages in publications. Type 'demo()' for some demos, 'help()' for on-line help, or 'help.start()' for an HTML browser interface to help. Type 'q()' to quit R. > # R CMD BATCH --no-timing --no-restore --no-save other_tests.R other_tests.Rout > > # Get rid of anything in the workspace: > rm(list=ls()) > > library(httk) > > calc_css(chem.name='nicotine') $avg [1] 0.3976 $frac [1] 0.9623 $max [1] 0.5331 $the.day [1] 2 Warning messages: 1: In get_clint(dtxsid = dtxsid, chem.name = chem.name, chem.cas = chem.cas, : Clint is provided as a distribution. 2: In apply_clint_adjustment(Clint.point, Fu_hep = Fu_hep, suppress.messages = suppress.messages) : Clint adjusted for in vitro partitioning (Kilford, 2008), see calc_hep_fu. 3: In get_fup(dtxsid = dtxsid, chem.name = chem.name, chem.cas = chem.cas, : Fraction unbound is provided as a distribution. 4: In apply_fup_adjustment(fup.point, fup.correction = fup.adjustment, : Fup adjusted for in vivo lipid partitioning (Pearce, 2017), see calc_fup_correction. 5: In available_rblood2plasma(chem.cas = chem.cas, species = species, : Human in vivo measured Rblood2plasma used. 6: In get_caco2(chem.cas = chem.cas, chem.name = chem.name, dtxsid = dtxsid, : Default value of 1.6 used for Caco2 permeability. > > calc_tkstats(chem.name='nicotine',days=10) Human plasma concentrations returned in uM units. AUC is area under plasma concentration curve in uM * days units with Rblood2plasma = 0.8238 . $AUC [1] 4.117 $peak [1] 1.217 $mean [1] 0.4117 > > calc_analytic_css( + chem.name='Bisphenol-A', + tissue='liver', + species='rabbit', + parameterize.args.list = list( + default.to.human=TRUE, + adjusted.Funbound.plasma=TRUE, + regression=TRUE, + minimum.Funbound.plasma=1e-4), + daily.dose=2) Plasma concentration for liver returned in uM units. [1] 31 There were 14 warnings (use warnings() to see them) > > predict_partitioning_schmitt(chem.name='nicotine') $Kadipose2pu [1] 1.194 $Kbone2pu [1] 1.355 $Kbrain2pu [1] 2.616 $Kgut2pu [1] 3.846 $Kheart2pu [1] 2.97 $Kkidney2pu [1] 5.886 $Kliver2pu [1] 6.19 $Klung2pu [1] 5.62 $Kmuscle2pu [1] 2.952 $Kskin2pu [1] 3.226 $Kspleen2pu [1] 2.677 $Krbc2pu [1] 1.254 $Krest2pu [1] 3.496 Warning messages: 1: In get_fup(dtxsid = dtxsid, chem.name = chem.name, chem.cas = chem.cas, : Fraction unbound is provided as a distribution. 2: In apply_fup_adjustment(fup.point, fup.correction = fup.adjustment, : Fup adjusted for in vivo lipid partitioning (Pearce, 2017), see calc_fup_correction. > > quit("no") > proc.time() user system elapsed 5.79 0.25 6.04