Table 2:
Getting Started with httk.
Where Do I Get R? | R is freely available from the Comprehensive R Archive Network (CRAN): https://cloud.r-project.org/ Graphical user interface (GUI), RStudio, is freely available: https://rstudio.com/ |
Getting Started with R Package httk | install.packages(httk) RStudio provides a menu “Install Packages” under “Tools” tab |
Load the HTTK data, models, and functions | library(httk) |
Check what version you are using | packageVersion(httk) |
Getting help with R Package httk | help(httk) You can go straight to the index: help(package=httk) |
List all CAS numbers for all chemicals with sufficient data to run httk | get_cheminfo() |
List all information: | get_cheminfo(info=“all”) |
Is a chemical with a specified CAS number available? | “80-05-7” %in% get_cheminfo() |
All data on chemicals A, B, C | subset(get_cheminfo(info=“all”),Compound%in%c(“A”,”B”,”C”)) |
Administrated equivalent dose (mg/kg BW/day) to produce 0.1 uM plasma concentration, 0.95 quantile, for a specified CAS number and species | calc_mc_oral_equiv(0.1,chem.cas=“34256–82-1”, species=“human”) |
Calculate the mean, AUC, and peak concentrations for a simulated study (28-day daily dose, by default) for a specified CAS number and species | calc_tkstats(chem.cas=“34256–82-1”, species=“rat”) |
Using the PBTK solver for a specified chem name | solve_pbtk(chem.name=“bisphenol a”, plots=TRUE) |
List all vignettes for httk | vignette(package=httk) |
Displays the vignette for a specified vignette | vignette(“Frank2018”) |
Create data set, my_data, for all data on chemicals A, B, C, in R | my_data <- subset(get_cheminfo(info=“all”),Compound%in%c(“A”,”B”,”C”)) |
Export data set, my_data, from R to csv file called my_data.csv in the current working directory | write.csv(my_data, file = “my_data.csv”) |