--- id: https://HendrikBorgelt.github.io/test_chemDCAT_ap_versioning_freeze/chemistry/v0.4.5/ version: "0.4.5" # 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://HendrikBorgelt.github.io/test_chemDCAT_ap_versioning_freeze/v0.4.5/ dcatapplus: https://HendrikBorgelt.github.io/test_dcat_ap_plus_versioning_freeze/v0.5.0/ 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:schema/dcat_ap_plus - chemdcatap:schema/chemical_entities_ap - chemdcatap:schema/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.