This component enables the use of all ChEMBL components (those whose names start with the "ChEMBL" prefix) by connecting them to a ChEMBL database instance. The ChEMBL database can be downloaded from the official ChEMBL download page (https://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/).
Currently, the component supports the following database types:
PostgreSQL: Much better performance (recommended).
SQLite: Easier setup (use only if PostgreSQL is not an option).
PostgreSQL
If PostgreSQL is selected, you can connect to either a local or remote ChEMBL PostgreSQL instance by specifying all necessary connection parameters: database host, name, and port, which can be configured in the dialog. Credentials can be provided through one of two options:
Set user and password: Enter database credentials directly in the configuration dialog.
Retrieve from specified KNIME Hub instance: Credentials are securely retrieved from secrets stored on the specified KNIME Hub instance (“KNIME Hub mountpoint”). In this case, ensure that the ChEMBL credentials are stored as a secret named chembl_credentials on the KNIME Hub instance (see the KNIME Hub Secrets Documentation).
SQLite
If SQLite is selected, specify the path to a local ChEMBL SQLite file. No additional configuration is required.