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Update SMILES formula to SMILES string #235

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merged 3 commits into from
Feb 13, 2024
Merged

Update SMILES formula to SMILES string #235

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da25bf2
Update SMILES formula to SMILES string
edeutsch Feb 9, 2024
1ed7af0
Reparent SMILES from chemical formula to structural formula
mobiusklein Feb 9, 2024
e251578
Merge branch 'master' into edeutsch-smiles
mobiusklein Feb 11, 2024
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10 changes: 5 additions & 5 deletions psi-ms.obo
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Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
format-version: 1.2
data-version: 4.1.140
date: 24:01:2024 10:23
saved-by: Yasset Perez-Riverol
data-version: 4.1.141
date: 11:02:2024 10:23
saved-by: Eric Deutsch
auto-generated-by: OBO-Edit 2.3.1
import: http://purl.obolibrary.org/obo/pato.obo
import: http://purl.obolibrary.org/obo/stato.owl
Expand Down Expand Up @@ -6133,9 +6133,9 @@ relationship: has_value_type xsd:string ! The allowed value-type for this CV ter

[Term]
id: MS:1000868
name: SMILES formula
name: SMILES string
def: "The simplified molecular input line entry specification or SMILES is a specification for unambiguously describing the structure of a chemical compound using a short ASCII string." [EDAM:2301]
is_a: MS:1000864 ! chemical formula
is_a: MS:1000867 ! structural formula
relationship: has_value_type xsd:string ! The allowed value-type for this CV term

[Term]
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