Chemical Substance Registry With Structure Data

Over 350,000 chemical records from the National Library of Medicine provide structure and nomenclature authority files. More than 80,000 records include chemical structures. The database is maintained by the NLM's SCIOPS organization.

Use Cases

• Link chemical substances to biomedical literature using CAS Registry Number or Name as a key.
• Perform chemical structure similarity searches using the over 80,000 available structure records.
• Resolve chemical synonyms and standardize nomenclature across datasets via Synonym and Molecular Formula fields.
• Filter or classify chemicals of interest using the Classification Code and Locator Code metadata.

Strengths

• Contains over 350,000 chemical substance records.
• Includes chemical structures for over 80,000 records.
• Searchable via multiple specific identifiers like CAS Registry Number and Molecular Formula.

Limitations

• Approximately 270,000 records lack chemical structure data.
• The raw description does not specify a creation or last update date, indicating potential staleness.
• No information on row counts, file size, or specific data formats is provided.

Provenance

Source

National Library of Medicine (NLM)

Collection Method

Compilation of structure and nomenclature authority files from NLM databases.