See vignette("Setting up toxEval package data", package = "toxEval")
for more information on how the data was aggregated.
Examples
head(tox_chemicals)
#> # A tibble: 6 × 6
#> casn chnm dsstox_substance_id Total_tested Active Structure_MolWt
#> <chr> <chr> <chr> <int> <int> <dbl>
#> 1 100-00-5 1-Chloro-4-n… DTXSID5020281 582 1 158.
#> 2 100-01-6 4-Nitrobenze… DTXSID8020961 587 36 138.
#> 3 100-02-7 4-Nitrophenol DTXSID0021834 599 39 139.
#> 4 100-06-1 4'-Methoxyac… DTXSID2044347 322 2 150.
#> 5 100-10-7 4-Dimethylam… DTXSID5021835 321 4 149.
#> 6 100-11-8 4-Nitrobenzy… DTXSID7049392 234 3 216.