(Postgres v10.4) - Contains all information in DrugCentral. Requires a new or existing Postgres
database setup, please see
Postgresql documentation on how to install,
configure and load database contents.
Download-Drug-target interaction data extracted from literature, drug labels, and external data sources in TSV format
SDF file MOL V2000 records - contains chemical structures of drugs, note only V2000 supported records are in this file.
SDF file MOL V3000 records
- contains chemical structures of drugs, all including records with undefined chemical
structure are included here.
SQL query examples - Examples of SQL queries to be used on a local instance of Postgres database.
SMILES and InChI file
- contains structures in SMILES and InChI formats along with INN names, DrugCentral ids,
and CAS registry numbers.
For questions and comments please contact Oleg Ursu or Jayme Holmes.