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Report more chemical properties
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- dipole moment
- ionization potential
- safety info
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egonw authored Aug 7, 2023
1 parent 06c37d9 commit d356b30
Showing 1 changed file with 24 additions and 0 deletions.
24 changes: 24 additions & 0 deletions scholia/app/templates/chemical-index_statistics.sparql
Original file line number Diff line number Diff line change
Expand Up @@ -23,6 +23,15 @@ WITH {
WITH {
SELECT (COUNT(*) AS ?count) WHERE { [] wdt:P9405 []. }
} AS %nmrSpectra
WITH {
SELECT (COUNT(*) AS ?count) WHERE { [] wdt:P2201 []. }
} AS %dipole
WITH {
SELECT (COUNT(*) AS ?count) WHERE { [] wdt:P2260 []. }
} AS %ionizationPotential
WITH {
SELECT (COUNT(*) AS ?count) WHERE { [] wdt:P4952 []. }
} AS %safetyInfo
WHERE {
{
INCLUDE %meltingpoints
Expand Down Expand Up @@ -63,5 +72,20 @@ WHERE {
INCLUDE %nmrSpectra
BIND("Total number of chemicals with NMR spectra" AS ?description)
}
UNION
{
INCLUDE %dipole
BIND("Total number of chemicals with a electronic dipole moment" AS ?description)
}
UNION
{
INCLUDE %ionizationPotential
BIND("Total number of chemicals with a ionization potential" AS ?description)
}
UNION
{
INCLUDE %safetyInfo
BIND("Total number of chemicals with a safety classification and labelling" AS ?description)
}
}
ORDER BY DESC(?count)

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