A set of SPARQL examples
Chemicals statistics.
PREFIX bd: <http://www.bigdata.com/rdf#>
PREFIX mwapi: <https://www.mediawiki.org/ontology#API/>
PREFIX wikibase: <http://wikiba.se/ontology#>
PREFIX xsd: <http://www.w3.org/2001/XMLSchema#>
SELECT
(xsd:integer(?count_) AS ?count)
(CONCAT("Total chemicals with ", ?description_) AS ?description)
WHERE {
BIND("haswbstatement:P31=Q113145171|P31=Q59199015" AS ?constraint)
VALUES (?description_ ?property_query_term) {
("or without stereochemistry" "")
("fully defined stereochemistry" "P31=Q113145171")
("undefined stereochemistry" "P31=Q59199015")
("CAS registry number" "P231")
("canonical SMILES" "P233")
("InChI" "P234")
("InChIKey" "P235")
("chemical formula" "P274")
# ("ChEMBL ID" "P592") # limit IDs
# ("ChemSpider ID" "P661") # limit IDs
("PubChem ID" "P662")
# ("KEGG ID" "P665") # limit IDs
("ChEBI ID" "P683")
("found in taxon" "P703")
("isomeric SMILES" "P2017")
# ("ZINC ID" "P2084") # limit IDs
("crystal structure" "haswbstatement:P3636|P11375")
("safety classification and labelling" "P4952")
("mass spectrum" "haswbstatement:P4964|P6689")
# ("SMARTS notation" "P8533") # not for now
("NMR spectrum" "P9405")
# hacky way to get quantity properties.
("pKa" "linksto:Property:P1117")
("mass" "linksto:Property:P2067")
("solubility" "linksto:Property:P2177")
("melting point" "linksto:Property:P2101")
("boiling point" "linksto:Property:P2102")
("electric dipole moment" "linksto:Property:P2201")
("ionization energy" "linksto:Property:P2260")
# ("minimum explosive concentration" "linksto:Property:P2204") # safety
# ("time-weighted average exposure limit" "linksto:Property:P2404") # safety
# ("ceiling exposure limit" "linksto:Property:P2405") # safety
# ("maximum peak exposure limit" "linksto:Property:P2406") # safety
# ("short-term exposure limit" "linksto:Property:P2407") # safety
# ("solubility product constant" "linksto:Property:P11813") # less than 5 statements
}
BIND(CONCAT(?property_query_term, " ", ?constraint) AS ?search_query)
SERVICE wikibase:mwapi {
bd:serviceParam wikibase:endpoint "www.wikidata.org" ;
wikibase:api "Search" ;
wikibase:limit "once" ;
mwapi:srsearch ?search_query;
mwapi:srlimit "1".
?count_ wikibase:apiOutput "//searchinfo[1]/@totalhits".
}
}
ORDER BY DESC(?count)
graph TD
classDef projected fill:lightgreen;
classDef literal fill:orange;
classDef iri fill:yellow;
v2("?constraint")
v7("?count")
v6("?count_"):::projected
v7("?description")
v3("?description_"):::projected
v4("?property_query_term")
v5("?search_query")
c4(["www.wikidata.org"]):::literal
c13(["//searchinfo#91;1#93;/@totalhits"]):::literal
c11(["1"]):::literal
c2([http://www.bigdata.com/rdf#serviceParam]):::iri
c8(["once"]):::literal
c6(["Search"]):::literal
bind0[/"'haswbstatement:P31=Q113145171|P31=Q59199015'"/]
bind0 --as--o v2
bind1[/VALUES ?description_ ?property_query_term/]
bind1-->v3
bind1-->v4
bind10(["or without stereochemistry"])
bind10 --> bind1
bind11([""])
bind11 --> bind1
bind12(["fully defined stereochemistry"])
bind12 --> bind1
bind13(["P31=Q113145171"])
bind13 --> bind1
bind14(["undefined stereochemistry"])
bind14 --> bind1
bind15(["P31=Q59199015"])
bind15 --> bind1
bind16(["CAS registry number"])
bind16 --> bind1
bind17(["P231"])
bind17 --> bind1
bind18(["canonical SMILES"])
bind18 --> bind1
bind19(["P233"])
bind19 --> bind1
bind110(["InChI"])
bind110 --> bind1
bind111(["P234"])
bind111 --> bind1
bind112(["InChIKey"])
bind112 --> bind1
bind113(["P235"])
bind113 --> bind1
bind114(["chemical formula"])
bind114 --> bind1
bind115(["P274"])
bind115 --> bind1
bind116(["PubChem ID"])
bind116 --> bind1
bind117(["P662"])
bind117 --> bind1
bind118(["ChEBI ID"])
bind118 --> bind1
bind119(["P683"])
bind119 --> bind1
bind120(["found in taxon"])
bind120 --> bind1
bind121(["P703"])
bind121 --> bind1
bind122(["isomeric SMILES"])
bind122 --> bind1
bind123(["P2017"])
bind123 --> bind1
bind124(["crystal structure"])
bind124 --> bind1
bind125(["haswbstatement:P3636|P11375"])
bind125 --> bind1
bind126(["safety classification and labelling"])
bind126 --> bind1
bind127(["P4952"])
bind127 --> bind1
bind128(["mass spectrum"])
bind128 --> bind1
bind129(["haswbstatement:P4964|P6689"])
bind129 --> bind1
bind130(["NMR spectrum"])
bind130 --> bind1
bind131(["P9405"])
bind131 --> bind1
bind132(["pKa"])
bind132 --> bind1
bind133(["linksto:Property:P1117"])
bind133 --> bind1
bind134(["mass"])
bind134 --> bind1
bind135(["linksto:Property:P2067"])
bind135 --> bind1
bind136(["solubility"])
bind136 --> bind1
bind137(["linksto:Property:P2177"])
bind137 --> bind1
bind138(["melting point"])
bind138 --> bind1
bind139(["linksto:Property:P2101"])
bind139 --> bind1
bind140(["boiling point"])
bind140 --> bind1
bind141(["linksto:Property:P2102"])
bind141 --> bind1
bind142(["electric dipole moment"])
bind142 --> bind1
bind143(["linksto:Property:P2201"])
bind143 --> bind1
bind144(["ionization energy"])
bind144 --> bind1
bind145(["linksto:Property:P2260"])
bind145 --> bind1
bind2[/"concat(?property_query_term,' ',?constraint)"/]
v4 --o bind2
v2 --o bind2
bind2 --as--o v5
subgraph s1["http://wikiba.se/ontology#mwapi"]
style s1 stroke-width:4px;
c2 --"wikibase:endpoint"--> c4
c2 --"wikibase:api"--> c6
c2 --"wikibase:limit"--> c8
c2 --https://www.mediawiki.org/ontology#API/srsearch--> v5
c2 --https://www.mediawiki.org/ontology#API/srlimit--> c11
v6 --"wikibase:apiOutput"--> c13
end
bind3[/"http://www.w3.org/2001/XMLSchema#integer(?count_)"/]
v6 --o bind3
bind3 --as--o v7
bind4[/"concat('Total chemicals with ',?description_)"/]
v3 --o bind4
bind4 --as--o v7