covabasic_pubchem
Query PubChem database. NETWORK REQUIRED.
action options:
"lookup" — find compound by name, CAS, SMILES, or InChIKey. Returns CID, IUPAC name, InChI, MW, XLogP, TPSA.
"smiles" — resolve a compound name or CAS to canonical SMILES.
"properties" — fetch computed properties for a PubChem CID (pass CID as query).
"similarity" — find similar compounds by Tanimoto (pass SMILES as query, set threshold 0-1).
Input Schema
TableJSON Schema
| Name | Required | Description | Default |
|---|---|---|---|
| query | Yes | ||
| action | No | lookup | |
| api_key | No | ||
| threshold | No | ||
| query_type | No | name | |
| max_results | No |
Output Schema
TableJSON Schema
| Name | Required | Description | Default |
|---|---|---|---|
| result | Yes |