PubChem API

REST API for accessing the NIH PubChem chemical database, enabling compound lookup by name, SMILES, InChIKey, or molecular formula, along with property retrieval, structural data in SDF format, similarity and substructure search, synonyms, and bioassay summaries.

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Slug: pubchem
Key: nih.gov:pubchem-api
Base URL: https://pubchem.ncbi.nlm.nih.gov/rest/
Auth: none
Endpoints: 26
Category: biology
Reachable: unknown
CORS: unknown
Tier: verified

Topics

CHEMISTRY, DATABASE, SCIENCE

Endpoints (26)

Path Summary Response Auth
pug/assay/aid/{aid}/summary/{format} Get assay summary by AID application/json —
pug/compound/cid/{cid}/SDF Get compound structure as SDF ? —
pug/compound/cid/{cid}/cids/{format} Get CID(s) from CID input application/json —
pug/compound/cid/{cid}/description/{format} Get compound description application/json —
pug/compound/cid/{cid}/description/{output} Get compound descriptions ? —
pug/compound/cid/{cid}/property/{properties}/{format} Get compound properties by CID application/json —
pug/compound/cid/{cid}/property/{properties}/{output} Get compound properties ? —
pug/compound/cid/{cid}/record/{output} Get full compound record ? —
pug/compound/cid/{cid}/sdf Get compound as SDF ? —
pug/compound/cid/{cid}/synonyms/{format} Get compound synonyms application/json —
pug/compound/cid/{cid}/synonyms/{output} Get compound synonyms ? —
pug/compound/cid/{cid}/{output} Get compound record (alternative path) ? —
pug/compound/fastformula/{formula}/cids/{format} Get CIDs by molecular formula application/json —
pug/compound/fastsimilarity/smiles/{smiles}/cids/{output} Similarity search ? —
pug/compound/fastsimilarity_2d/cid/{cid}/cids/{format} 2D similarity search application/json —
pug/compound/fastsubstructure/smiles/{smiles}/cids/{format} Substructure search by SMILES application/json —
pug/compound/fastsubstructure/smiles/{smiles}/cids/{output} Substructure search ? —
pug/compound/inchikey/{inchikey}/cids/{format} Get compound CID by InChIKey application/json —
pug/compound/name/{name}/cids/{format} Get compound CIDs by name application/json —
pug/compound/name/{name}/cids/{output} Search compounds by name ? —
pug/compound/name/{name}/property/{properties}/{format} Get compound properties by name application/json —
pug/compound/smiles/{smiles}/cids/{format} Get CIDs by SMILES application/json —
pug/compound/smiles/{smiles}/cids/{output} Search compounds by SMILES ? —
pug/substance/name/{name}/sids/{format} Get substance SIDs by name application/json —
pug/substance/sid/{sid}/{output} Get substance record ? —
pug_view/data/compound/{cid}/{format} Get full compound record application/json —