reteplayground
Construct

A molecule's chemistry card (graph)

SubjectPredicateObject
CHEBI_27732labelcaffeine
CHEBI_27732generalized_empirical…C8H10N4O2
CHEBI_27732inchi_key_stringRYYVLZVUVIJVGH-UHFFFA…
CHEBI_27732smiles_stringCn1c(=O)c2c(ncn2C)n(C…
Run this query → no server · no download · no account
caviri.github.io/rete
Run this query in the playground → 4 triples · 35 ms · no server, no download — the query runs in your browser.

The query

PREFIX rdfs: <http://www.w3.org/2000/01/rdf-schema#> PREFIX chemrof: <https://w3id.org/chemrof/> PREFIX obo: <http://purl.obolibrary.org/obo/> CONSTRUCT { obo:CHEBI_27732 rdfs:label ?l ; chemrof:generalized_empirical_formula ?f ; chemrof:smiles_string ?s ; chemrof:inchi_key_string ?k } WHERE { obo:CHEBI_27732 rdfs:label ?l ; chemrof:generalized_empirical_formula ?f ; chemrof:smiles_string ?s ; chemrof:inchi_key_string ?k }

rete playground · documentation · github.com/caviri/rete