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latestOpenAPI 3.0.0API available under GNU Lesser General Public License2026-07-1413931.8 KB
Structures

Substructure search

Returns compounds with the specified substructure

get/enm/{db}/query/smarts

Path parameters

db'calibrate' | 'enanomapper' | 'enpra' | 'marina' | 'nanogenotox' | 'nanoinformatix' | 'nanoreg1' | 'nanoreg2' | 'nanotest' required

Database ID

Query parameters

searchstring

Compound identifier (SMILES, InChI, name, registry identifiers)

b64searchstring

Base64 encoded mol file; if included, will be used instead of the 'search' parameter

type'smiles' | 'mol' | 'url'

Defines the expected content of the search parameter

dataset_uristring

Restrict the search within the AMBIT dataset specified with the URI

filterBySubstanceboolean

Restrict the search within the set of structures with assigned substances

bundle_uristring

If the structure is used in the specified bundle URI, the selection tag will be returned

sameasstring

Ontology URI to define groups of columns

molboolean

Only for application/json; to include mol as JSON field

pageinteger

Starting page

pagesizeinteger

Page size

Response

OK. Entries found

dataEntryobject
featureobject
model_uristring
queryobject