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toxEval (version 1.0.3)

tox_chemicals: ToxCast Chemical Information

Description

Downloaded on October 2015 from ToxCast. The file name of the raw data was "TOX21IDs_v4b_23Oct2014_QCdetails.xlsx", from the US EPA DSSTox DATA RELEASE OCTOBER 2015. At the time of toxEval package release, this information was found: https://www.epa.gov/chemical-research/toxicity-forecaster-toxcasttm-data in the section marked "Download ToxCast Chemical Information". This was in the "ToxCast & Tox21 Chemicals Distributed Structure-Searchable Toxicity Database (DSSTox files)" data set.

Arguments

Value

data frame with columns: "ToxCast_chid","DSSTox_Substance_Id", "DSSTox_Structure_Id","DSSTox_QC.Level", "Substance_Name","Substance_CASRN", "Substance_Type","Substance_Note", "Structure_SMILES","Structure_InChI", "Structure_InChIKey","Structure_Formula", "Structure_MolWt"

Examples

Run this code
# NOT RUN {
head(tox_chemicals)
# }

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