tox_chemicals: ToxCast Chemical Information

In USGS-R/toxEval: Exploring Biological Relevance of Environmental Chemistry Observations

ToxCast Chemical Information

Description

Downloaded from the CompTox database on October 2022. https://comptox.epa.gov/dashboard/. Additional columns were added based on the information from the "INVITRODB_V3_5_LEVEL5" data.

Value

data frame with the following columns:

Column	Description
DSSTox_Substance_Id	DSSTox_Substance_Id
Substance_Name	Commen chemical name
Structure_MolWt	Molecular weight
DTXCID	DTXCID
Substance_CASRN	CASRN
INCHIKEY	INCHIKEY
SMILES	SMILES
Total_tested	Total number of ToxCast assays tested
Active	Number of ToxCast assays flagged as active
min_concentration	Minimum concentration tested in ToxCast (ug/L)
max_concentration	Maximum concentration tested in ToxCast (ug/L)

data frame with columns: "Substance_Name","Substance_CASRN", "Structure_MolWt"

Examples

head(tox_chemicals)

USGS-R/toxEval documentation built on Feb. 9, 2024, 6:24 p.m.