User-defined drugs


    Here you can manage - add/delete/replace - list(s) of structure - name pairs, which is considered in Drug info field. If there is structural match to a compound in the list the "Found in [name of the list] as [compound name]" is shown in the "Drug info" field of the report. If a compound in the list can be found in FDA Orange or Green Book that takes precedence.

    The format is CSV containing structure - name pair list. The file should have at least "structure" and "name" columns (column names are case-insensitive) and the structures are expected in SMILES format.

    After uploading a file you need to specify the country(ies) for which the list will be applied and a list name to be diplayed in the "Drug info" field.

    Once the upload is done, the table is displayed and a download button is also offered.

    Please note that it is possible to upload/replace/delete user-defined drug list while checking and the change is takes effect immediately.