OPS_LinkedDataApi/api-config-files/02_01_ocrs_InChItoCSID.ttl at master · openphacts/OPS_LinkedDataApi · GitHub

1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
@base <http://www.openphacts.org/api> .
@prefix rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> .
@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
@prefix api: <http://purl.org/linked-data/api/vocab#> .
@prefix cheminf: <http://semanticscience.org/resource/> .
@prefix foaf: <http://xmlns.com/foaf/0.1/> .

<#chemspider> a api:API ;
	rdfs:label "ChemSpider structure search"@en;
	api:sparqlEndpoint <http://alpha.openphacts.org:8890/sparql/> ;
	api:contentNegotiation api:parameterBased ;
	api:variable cheminf:CHEMINF_000396 ;
	api:dataset <http://chemistry.openphacts.org> ;
	api:description "An API configuration to return a chemspider URL corresponding to a chemical structure." ;
	api:endpoint [
		a api:ExternalHTTPService ;
		api:description "A ChemSpider URL corresponding to an input InChI string. Driven by ChemSpider." ;

		api:name "Chemical Structure Conversion: Inchi to URL" ;
		api:enableCache true ;
		api:uriTemplate "/structure?inchi={inchi}" ;
		api:externalRequestTemplate "https://chemistry.openphacts.org/api/JSON.ashx?op=ConvertTo&convertOptions.Direction=InChi2CSID&convertOptions.Text={inchi}" ;
		api:externalResponseHandler "converters/chemspider_id_xml_to_rdf.php" ;
		api:exampleRequestPath "/structure?inchi=InChI%3D1S%2FC22H44N2%2Fc1-5-10-21(11-6-2)12-14-22(15-13-21)16-19-24(20-22)18-9-17-23(7-3)8-4%2Fh5-20H2%2C1-4H3" ;
		api:viewer <#externalResponseViewer> ;
		api:defaultViewer <#externalResponseViewer> . ] .

<http://chemistry.openphacts.org> api:label "OpenPHACTS Chemistry Registration Service" .

cheminf:CHEMINF_000396 api:name "inchi" ;
	api:label "inchi";
	api:value "An InChI string. E.g. InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)" .

<#externalResponseViewer> a api:Viewer ;
	api:name "externalResponseViewer" ;
	api:template "
{pageUri} foaf:primaryTopic ?primaryTopic .
?primaryTopic foaf:isPrimaryTopicOf {pageUri} .
?primaryTopic cheminf:CHEMINF_000396 ?inchi ." ;

	api:where "
GRAPH <{result_hash}> {
	?primaryTopic cheminf:CHEMINF_000396 ?inchi .
}".