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---
id: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/
version: "0.1.0rc2.post34.dev0+cb44dfdb" # Managed by dynamic-versioning. Don't change this line!
name: chem-dcat-ap
title: ChemDCAT-AP
description: |-
This is an extension of the DCAT Application Profile PLUS LinkML schema. It is intended to be used by NFDI4Chem & NFDI4Cat as a core that can further be extended in profiles/schemas to provide chemistry specific specific metadata for a dataset.
license: CC-BY 4.0
see_also:
- https://nfdi-de.github.io/chem-dcat-ap/
- https://github.com/HendrikBorgelt/DCAT-ap_as_LinkML_template/blob/main/src/dcatlinkml/schema/dcatlinkml.yaml
- https://gitlab.com/opensourcelab/scientificdata/scidats/-/blob/feature/linkml-schemata/schemata/metadata_model_scidats_dcat_ap.yaml?ref_type=heads
prefixes:
chemdcatap: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/
dcatapplus: https://w3id.org/nfdi-de/dcat-ap-plus/
linkml: https://w3id.org/linkml/
biolink: https://w3id.org/biolink/vocab/
schema: http://schema.org/
dcterms: http://purl.org/dc/terms/
dcat: http://www.w3.org/ns/dcat#
adms: http://www.w3.org/ns/adms#
prov: http://www.w3.org/ns/prov#
sosa: http://www.w3.org/ns/sosa/
vcard: http://www.w3.org/2006/vcard/ns#
rdf: http://www.w3.org/1999/02/22-rdf-syntax-ns#
rdfs: http://www.w3.org/2000/01/rdf-schema#
owl: http://www.w3.org/2002/07/owl#
skos: http://www.w3.org/2004/02/skos/core#
foaf: http://xmlns.com/foaf/0.1/
qudt: http://qudt.org/schema/qudt/
RO: http://purl.obolibrary.org/obo/RO_
PATO: http://purl.obolibrary.org/obo/PATO_
OBI: http://purl.obolibrary.org/obo/OBI_
IAO: http://purl.obolibrary.org/obo/IAO_
CHEBI: http://purl.obolibrary.org/obo/CHEBI_
CHMO: http://purl.obolibrary.org/obo/CHMO_
BFO: http://purl.obolibrary.org/obo/BFO_
T4FS: http://purl.obolibrary.org/obo/T4FS_
FOODON: http://purl.obolibrary.org/obo/FOODON_
CHEMINF: http://semanticscience.org/resource/CHEMINF_
RXNO: http://purl.obolibrary.org/obo/RXNO_
MOP: http://purl.obolibrary.org/obo/MOP_
ex: http://example.org/
NCIT: http://purl.obolibrary.org/obo/NCIT_
SIO: http://semanticscience.org/resource/SIO_
doi: https://doi.org/
NMR: "http://nmrML.org/nmrCV#NMR:"
AFE: http://purl.allotrope.org/ontologies/equipment#AFE_
AFRL: http://purl.allotrope.org/ontologies/role#AFRL_
AFP: http://purl.allotrope.org/ontologies/process#AFP_
AFR: http://purl.allotrope.org/ontologies/result#AFR_
VOC4CAT: https://w3id.org/nfdi4cat/voc4cat_
PROCO: http://purl.obolibrary.org/obo/PROCO_
time: http://www.w3.org/2006/time#
REX: http://purl.obolibrary.org/obo/REX_
ENVO: http://purl.obolibrary.org/obo/ENVO_
default_prefix: chemdcatap
default_range: string
imports:
- linkml:types
- dcatapplus:latest/schema/dcat_ap_plus
- chemical_entities_ap
- chemical_reaction_ap
classes:
############
# Datasets #
############
# The only difference between these classes and their DCAT-AP+ parents are the made range restrictions
# This process is described in more depth at:
# https://nfdi-de.github.io/dcat-ap-plus/latest/design-patterns/#problems-dcat-ap-addresses
SubstanceSampleCharacterizationDataset:
is_a: Dataset
class_uri: dcat:Dataset
description: >-
A Dataset about a SubstanceSample that was produced by a SubstanceSampleCharacterization activity.
This is a coarse-grained convenience shape that conflates measurement and analysis into a single
data-generating activity. Domain-specific sub-profiles that need to distinguish raw measurement
from post-processing or structure assignment should define their own Dataset subclasses, potentially
using the DCAT-AP+ DataAnalysis/AnalysisDataset chain instead of reusing this class.
slot_usage:
was_generated_by:
range: SubstanceSampleCharacterization
multivalued: true
inlined_as_list: true
description: The slot to specify the SubstanceCharacterization activity that produced this dataset.
is_about_entity:
range: SubstanceSample
multivalued: true
inlined_as_list: true
description: The slot to specify the SubstanceSample this dataset is about.
ReactionMonitoringDataset:
is_a: Dataset
class_uri: dcat:Dataset
description: >-
A Dataset about a ChemicalReaction that was produced by a ReactionMonitoring activity.
This is a coarse-grained convenience shape that conflates experimental documentation and analysis
into a single data-generating activity. Domain-specific sub-profiles that need to distinguish
reaction monitoring from subsequent data evaluation should define their own Dataset subclasses,
potentially using the DCAT-AP+ DataAnalysis/AnalysisDataset chain instead of reusing this class.
slot_usage:
was_generated_by:
range: ReactionMonitoring
multivalued: true
inlined_as_list: true
description: The slot to specify the ReactionMonitoring activity that produced this dataset.
is_about_activity:
range: ChemicalReaction
description: The slot to specify the ChemicalReaction this dataset is about.
############################
# DataGeneratingActivities #
# ##########################
# The only difference between these classes and their DCAT-AP+ parents are the made range restrictions
# This process is described in more depth at:
# https://nfdi-de.github.io/dcat-ap-plus/latest/design-patterns/#problems-dcat-ap-addresses
SubstanceSampleCharacterization :
is_a: DataGeneratingActivity
class_uri: prov:Activity
broad_mappings:
- OBI:0000070
description: >-
A DataGeneratingActivity that produces data about a SubstanceSample, such as a spectroscopic
measurement, a physical property determination, or a combined measurement-and-analysis workflow.
This is a coarse-grained convenience shape that does not distinguish between raw data acquisition
and subsequent data processing or analysis. Domain-specific sub-profiles that need this distinction
should define their own DataGeneratingActivity subclasses and use the DCAT-AP+ DataAnalysis chain
to separate raw measurement from derived results.
slot_usage:
evaluated_entity:
range: SubstanceSample
multivalued: true
inlined_as_list: true
description: The slot to specify the SubstanceSample being characterized.
ReactionMonitoring:
is_a: DataGeneratingActivity
class_uri: prov:Activity
description: >-
A DataGeneratingActivity that produces data about a ChemicalReaction, such as reaction monitoring,
experimental documentation, or a combined recording-and-evaluation workflow. This is a coarse-grained
convenience shape that does not distinguish between raw experimental recording and subsequent data
evaluation. Domain-specific sub-profiles that need this distinction should define their own
DataGeneratingActivity subclasses and use the DCAT-AP+ DataAnalysis chain to separate raw data
from derived results.
slot_usage:
evaluated_activity:
range: ChemicalReaction
multivalued: true
inlined_as_list: true
description: The slot to specify the ChemicalReaction being recorded.
################
# Surroundings #
################
Laboratory:
is_a: Surrounding
class_uri: ENVO:01001405
description: A facility that provides controlled conditions in which scientific or technological research, experiments, and measurement may be performed.