Downloads
Below are the download files listed for all datasets in the AddictedChem.
DEA Controlled Substances
The DEA controlled substances are classified into 5 schedules. It is the main source of addicted chemicals in AddictedChem. And it's also the positive samples dataset for modeling.
DownloadDEA_CS_chemicals.txt.gz(1.1 MB)
Cayman Company abused drugs
Positive samples dataset for modeling.
DownloadCayman_Chemical_Company_abused_drugs.csv.gz(21 K)
NFLIS-Drug substances
Positive samples for the external validation set.
DownloadNFLIS-Drug_substances.csv.gz(3.5 K)
Targets data
Targets of addicted chemicals from BindingDB targets datasets. This dataset is a subset of the BindingDB data.
DownloadDEA_CS_BindingDB_targets.tsv.gz(1011 K)
CTD GO data
Chemical–GO enriched associations of addicted chemicals from CTD database. This datasets provides a list of GO terms that are statistically enriched among the genes/proteins that interact with the chemical or one of its descendants.
Downloadaddictedchem_Mesh_ID_cid_GO.tsv.gz(75 K)
CTD pathways data
Chemical-pathway enriched associations of addicted chemicals from CTD database. This dataset provides a list of pathways that are statistically enriched among the genes/proteins that interact with a chemical.
Downloadaddictedchem_Mesh_ID_cid_pathway.tsv.gz(22 K)
SMPDB pathways data
This dataset is a subset of the SMPDB pathways data.
Downloadaddictedchem_smpdb.tsv.gz(8.3 K)
ADMET data
Experimental and predicted ADMET data for addictive compounds.
DownloadAddictChem_dea_admet.tar.gz(128 K)