Update or Remove Substances

Once you have records in PubChem, you may want to change their content or delete substances from access via public search.

 

Update Substances

Resubmit full records with new changes to create a new public version

 

Each updated record loads just as it was originally created, based on an identifier you must provide unique to your data source. The updated record completely replaces the public record and becomes the latest version.

Reload Your File

Each record is checked for this unique, mandatory tag:

  • PUBCHEM_EXT_DATASOURCE_REGID

A simple way to update a set of records is to reload the original spreadsheet or SDF file with your desired modifications.  The PubChem parsers always attempt to match incoming record identifiers to those in your public collection resulting in one of two actions:

  • Match: Update public record, replacing it with a new version
  • No Match: Create new public record

Notes:

  • A new record is generated for each new identifier. Multiple records might contain the same structure; only the identifier is checked for uniqueness.
  • Feel free to upload a file with a mixture of new records and updates for existing records.
 

Use the Web Form Per Record

To modify one or a few substance records, our web form might be a convenient alternative. In this case you need to know the assigned PubChem Substance SID for each record.

  • Click on New Submission > Substances > Fill in Form > PubChem SID
  • The web form will be populated with your current, public record
  • Make changes and resubmit.

 

 

Delete Substances

Remove records from public search that are incorrect or that you no longer carry

 

Example revoking two substances in spreadsheet format

Example revoking two substances in SDF format

 

To revoke one or more of your PubChem Substance records, create a new submission. In this case, however, you provide only two pieces of information per record defining the unique record identifier and a short comment explaining why the record is revoked:

 

  • PUBCHEM_EXT_DATASOURCE_REGID
  • PUBCHEM_REVOKE_SUBSTANCE

 

Only record identifiers exactly matching PubChem Substance records from your data source are valid.

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