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| Original file line number | Diff line number | Diff line change |
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@@ -10,7 +10,8 @@ | |
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| <https://w3id.org/emmo/disciplines/chemistry> rdf:type owl:Ontology ; | ||
| owl:versionIRI <https://w3id.org/emmo/1.0.0-rc1/disciplines/chemistry> ; | ||
| owl:imports <https://w3id.org/emmo/1.0.0-rc1/disciplines/isq> ; | ||
| owl:imports <https://w3id.org/emmo/1.0.0-rc1/disciplines/perceptual> , | ||
| <https://w3id.org/emmo/1.0.0-rc1/disciplines/isq> ; | ||
| dcterms:abstract "The chemistry module populates the physicalistic perspective with materials subclasses categorised according to modern applied chemistry."@en ; | ||
| dcterms:contributor "Access, DE" , | ||
| "Fraunhofer IWM, DE" , | ||
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@@ -40,7 +41,7 @@ email: [email protected]"""@en , | |
| # Annotation properties | ||
| ################################################################# | ||
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| ### https://w3id.org/emmo/disciplines/chemistry#EMMO_2856bbc2_96e1_485b_b5f8_2fdfcb0c9b92 | ||
| ### https://w3id.org/emmo#EMMO_2856bbc2_96e1_485b_b5f8_2fdfcb0c9b92 | ||
| :EMMO_2856bbc2_96e1_485b_b5f8_2fdfcb0c9b92 rdf:type owl:AnnotationProperty ; | ||
| rdfs:seeAlso "https://inchi.info/inchikey_overview_en.html"^^xsd:anyURI ; | ||
| skos:prefLabel "inchiKey"@en ; | ||
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@@ -49,7 +50,7 @@ email: [email protected]"""@en , | |
| rdfs:subPropertyOf rdfs:seeAlso . | ||
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| ### https://w3id.org/emmo/disciplines/chemistry#EMMO_2e0b0f1b_ba90_4827_af5a_92b826cb90de | ||
| ### https://w3id.org/emmo#EMMO_2e0b0f1b_ba90_4827_af5a_92b826cb90de | ||
| :EMMO_2e0b0f1b_ba90_4827_af5a_92b826cb90de rdf:type owl:AnnotationProperty ; | ||
| rdfs:seeAlso "http://opensmiles.org/opensmiles.html"^^xsd:anyURI ; | ||
| skos:prefLabel "smileReference"@en ; | ||
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@@ -100,13 +101,11 @@ email: [email protected]"""@en , | |
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| ### https://w3id.org/emmo#EMMO_21205421_5783_4d3e_81e5_10c5d894a88a | ||
| :EMMO_21205421_5783_4d3e_81e5_10c5d894a88a skos:example "Hydrogen molecule is an adequate definition of a certain molecular entity for some purposes, whereas for others it is necessary to distinguish the electronic state and/or vibrational state and/or nuclear spin, etc. of the hydrogen molecule." , | ||
| "Methane, may mean a single molecule of CH4 (molecular entity) or a molar amount, specified or not (chemical species), participating in a reaction. The degree of precision necessary to describe a molecular entity depends on the context." ; | ||
| rdfs:comment """Molecular entity is used as a general term for singular entities, irrespective of their nature, while chemical species stands for sets or ensembles of molecular entities. | ||
| :EMMO_21205421_5783_4d3e_81e5_10c5d894a88a rdfs:comment """Molecular entity is used as a general term for singular entities, irrespective of their nature, while chemical species stands for sets or ensembles of molecular entities. | ||
| Note that the name of a compound may refer to the respective molecular entity or to the chemical species,""" ; | ||
| skos:example "Hydrogen molecule is an adequate definition of a certain molecular entity for some purposes, whereas for others it is necessary to distinguish the electronic state and/or vibrational state and/or nuclear spin, etc. of the hydrogen molecule." , | ||
| "Methane, may mean a single molecule of CH4 (molecular entity) or a molar amount, specified or not (chemical species), participating in a reaction. The degree of precision necessary to describe a molecular entity depends on the context." . | ||
| "Methane, may mean a single molecule of CH4 (molecular entity) or a molar amount, specified or not (chemical species), participating in a reaction. The degree of precision necessary to describe a molecular entity depends on the context." . | ||
|
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| ### https://w3id.org/emmo#EMMO_26586828_3b8c_4d8b_9c6c_0bc2502f26ae | ||
|
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@@ -122,16 +121,16 @@ Note that the name of a compound may refer to the respective molecular entity or | |
| owl:onProperty :EMMO_b2282816_b7a3_44c6_b2cb_3feff1ceb7fe ; | ||
| owl:someValuesFrom :EMMO_4f40def1_3cd7_4067_9596_541e9a5134cf | ||
| ] ; | ||
| skos:example "Hydrogen peroxide is H2O2" ; | ||
| skos:prefLabel "MolecularFormula"@en ; | ||
| :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "An expression that provides information about the element types that constiture a molecule or a molecular substance and their number." ; | ||
| skos:example "Hydrogen peroxide is H2O2" . | ||
| :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "An expression that provides information about the element types that constiture a molecule or a molecular substance and their number." . | ||
|
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| ### https://w3id.org/emmo#EMMO_436b11bd_1756_4821_9f14_c9ed6b67552e | ||
| :EMMO_436b11bd_1756_4821_9f14_c9ed6b67552e rdf:type owl:Class ; | ||
| rdfs:subClassOf :EMMO_df96cbb6_b5ee_4222_8eab_b3675df24bea ; | ||
| skos:altLabel "PureSubstance"@en ; | ||
| skos:prefLabel "ElementalSubstance" ; | ||
| skos:prefLabel "ElementalSubstance"@en ; | ||
| :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A chemical substance composed of atoms with the same number of protons in the atomic nucleus." ; | ||
| :EMMO_fe015383_afb3_44a6_ae86_043628697aa2 "https://doi.org/10.1351/goldbook.C01022" . | ||
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@@ -187,9 +186,9 @@ This qualifies a chemical element as a name and not a matter obejct that can sta | |
| ### https://w3id.org/emmo#EMMO_6afdb7e8_2a0b_444d_bde3_8d67d98180c0 | ||
| :EMMO_6afdb7e8_2a0b_444d_bde3_8d67d98180c0 rdf:type owl:Class ; | ||
| rdfs:subClassOf :EMMO_9236d0aa_cb39_43a1_bbdd_6a2a714951c8 ; | ||
| skos:example "Hydrogen peroxide is HO" ; | ||
| skos:prefLabel "EmpiricalFormula"@en ; | ||
| :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "An expression that provide information about the element type of a compound and their relative ratio." ; | ||
| skos:example "Hydrogen peroxide is HO" . | ||
| :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "An expression that provide information about the element type of a compound and their relative ratio." . | ||
|
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| ### https://w3id.org/emmo#EMMO_704630b8_fee3_49b9_baca_40e2dd276370 | ||
|
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@@ -303,13 +302,10 @@ This qualifies a chemical element as a name and not a matter obejct that can sta | |
| ### https://w3id.org/emmo#EMMO_bf836c2b_7800_474d_b674_f5d629fa0bb1 | ||
| :EMMO_bf836c2b_7800_474d_b674_f5d629fa0bb1 rdf:type owl:Class ; | ||
| rdfs:subClassOf :EMMO_9236d0aa_cb39_43a1_bbdd_6a2a714951c8 ; | ||
| skos:prefLabel "CondensedFormula"@en ; | ||
| skos:example "An expression that provides information about the element types that constiture a molecule or a molecular substance and their number, together with simple information about the connectivity of its groups by using parenthesis or by goruping element names according to its molecular structure." . | ||
| skos:example "An expression that provides information about the element types that constiture a molecule or a molecular substance and their number, together with simple information about the connectivity of its groups by using parenthesis or by goruping element names according to its molecular structure." ; | ||
| skos:prefLabel "CondensedFormula"@en . | ||
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| ### https://w3id.org/emmo#EMMO_c74da218_9147_4f03_92d1_8894abca55f3 | ||
| :EMMO_c74da218_9147_4f03_92d1_8894abca55f3 rdf:type owl:Class . | ||
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| ### https://w3id.org/emmo#EMMO_cbcf8fe6_6da6_49e0_ab4d_00f737ea9689 | ||
| :EMMO_cbcf8fe6_6da6_49e0_ab4d_00f737ea9689 rdf:type owl:Class ; | ||
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@@ -334,12 +330,13 @@ Sodium Chloride""" ; | |
| Chemical species is the macroscopic equivalent of molecular entity and refers to sets or ensembles of molecular entities.""" ; | ||
| :EMMO_fe015383_afb3_44a6_ae86_043628697aa2 "https://doi.org/10.1351/goldbook.CT06859" . | ||
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| ### https://w3id.org/emmo#EMMO_d2a47cd8_662f_438f_855a_b4378eb992ff | ||
| :EMMO_d2a47cd8_662f_438f_855a_b4378eb992ff rdf:type owl:Class ; | ||
| rdfs:subClassOf :EMMO_643d99dd_fae6_4121_a76f_47f486a4480b ; | ||
| skos:example "Water is 7732-18-5" ; | ||
| skos:prefLabel "CASRN"@en ; | ||
| :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "Chemical Abstact Service registry number for a chemical substance from the American Chemical Society" ; | ||
| skos:example "Water is 7732-18-5" . | ||
| :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "Chemical Abstact Service registry number for a chemical substance from the American Chemical Society" . | ||
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| ### https://w3id.org/emmo#EMMO_d357e0dd_3497_4590_af6f_7954db7fecf7 | ||
|
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@@ -383,9 +380,6 @@ Chemical species is the macroscopic equivalent of molecular entity and refers to | |
| :EMMO_c84c6752_6d64_48cc_9500_e54a3c34898d "https://en.wikipedia.org/wiki/Chemical_compound" . | ||
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| ### https://w3id.org/emmo#EMMO_eb7de1a1_c30e_4f0d_94c6_fe70414d7e61 | ||
| :EMMO_eb7de1a1_c30e_4f0d_94c6_fe70414d7e61 rdf:type owl:Class . | ||
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| ### https://w3id.org/emmo#EMMO_ecc4efe9_77a2_47e3_8190_f9a883d54ac6 | ||
| :EMMO_ecc4efe9_77a2_47e3_8190_f9a883d54ac6 rdf:type owl:Class ; | ||
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@@ -394,4 +388,4 @@ Chemical species is the macroscopic equivalent of molecular entity and refers to | |
| :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A representation of objects belonging to the chemistry field." . | ||
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| ### Generated by the OWL API (version 4.5.25.2023-02-15T19:15:49Z) https://github.com/owlcs/owlapi | ||
| ### Generated by the OWL API (version 4.5.26.2023-07-17T20:34:13Z) https://github.com/owlcs/owlapi | ||
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
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| owl:versionInfo "1.0.0-rc1" ; | ||
| :EMMO_1246b120_abbe_4840_b0f8_3e4348b24a17 "[email protected]"^^xsd:anyURI . | ||
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| ################################################################# | ||
| # Annotation properties | ||
| ################################################################# | ||
|
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| ### https://w3id.org/emmo#EMMO_faf79f53_749d_40b2_807c_d34244c192f4 | ||
| :EMMO_faf79f53_749d_40b2_807c_d34244c192f4 rdf:type owl:AnnotationProperty ; | ||
| rdfs:domain :EMMO_8b305b63_6fa3_44dd_9679_17eb8403a07a . | ||
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| ################################################################# | ||
| # Datatypes | ||
| ################################################################# | ||
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@@ -74,10 +83,6 @@ rdf:JSON rdf:type rdfs:Datatype . | |
| skos:prefLabel "hasURNValue"@en . | ||
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| ### https://w3id.org/emmo#EMMO_faf79f53_749d_40b2_807c_d34244c192f4 | ||
| :EMMO_faf79f53_749d_40b2_807c_d34244c192f4 rdfs:domain :EMMO_8b305b63_6fa3_44dd_9679_17eb8403a07a . | ||
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| ################################################################# | ||
| # Classes | ||
| ################################################################# | ||
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@@ -166,6 +171,15 @@ https://www.computer.org/education/bodies-of-knowledge/software-engineering"""@e | |
| skos:prefLabel "NMTOKENData"@en . | ||
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| ### https://w3id.org/emmo#EMMO_1beed5ca_2bab_425d_bbe6_db6fab6ffe64 | ||
| :EMMO_1beed5ca_2bab_425d_bbe6_db6fab6ffe64 rdf:type owl:Class ; | ||
| rdfs:subClassOf :EMMO_4db96fb7_e9e0_466d_942b_f6f17bfdc145 ; | ||
| skos:example """- A database covering nine million chemical compositions. | ||
| - A thermodynamic database."""@en ; | ||
| skos:prefLabel "Database"@en ; | ||
| :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A structured collection of data held in a computer system that has a well-defined interface."@en . | ||
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| ### https://w3id.org/emmo#EMMO_268a8a97_3a6f_4022_93da_962a66827cdc | ||
| :EMMO_268a8a97_3a6f_4022_93da_962a66827cdc rdf:type owl:Class ; | ||
| rdfs:subClassOf :EMMO_1461e904_a2bf_4558_ad74_2706f5706b34 ; | ||
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@@ -300,12 +314,7 @@ https://www.computer.org/education/bodies-of-knowledge/software-engineering"""@e | |
| ### https://w3id.org/emmo#EMMO_5c15f8c4_d2de_47a0_acdd_470b8dda979b | ||
| :EMMO_5c15f8c4_d2de_47a0_acdd_470b8dda979b rdf:type owl:Class ; | ||
| rdfs:subClassOf :EMMO_70bbb94e_2ca7_4d73_ba01_6397f134d172 , | ||
| :EMMO_c404e6d9_261d_4d2e_ab0d_ba4e05062647 , | ||
| [ rdf:type owl:Restriction ; | ||
| owl:onProperty :EMMO_dc57d998_23db_4d8e_b2cd_f346b195b846 ; | ||
| owl:qualifiedCardinality "1"^^xsd:nonNegativeInteger ; | ||
| owl:onClass :EMMO_e94a9156_fb6c_4e16_88ee_829ac9933155 | ||
| ] ; | ||
| :EMMO_c404e6d9_261d_4d2e_ab0d_ba4e05062647 ; | ||
| skos:example "https://en.wiktionary.org/wiki/Ῥόδος"^^xsd:anyURI ; | ||
| skos:prefLabel "IRI"@en ; | ||
| :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "An Internationalized Resource Identifier (IRI) is a compact sequence of characters that identifies an abstract or physical resource. It is similar to URI, but greatly extends the allowed character set from ASCII to the Universal Character Set (Unicode/ISO 10646).."@en ; | ||
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@@ -617,4 +626,7 @@ C:\\\\Users\\\\John\\\\Desktop (DOS-like path)"""@en ; | |
| :EMMO_c84c6752_6d64_48cc_9500_e54a3c34898d "https://en.wikipedia.org/wiki/Specification_language"^^xsd:anyURI . | ||
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| [ owl:qualifiedCardinality "1"^^xsd:nonNegativeInteger | ||
| ] . | ||
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| ### Generated by the OWL API (version 4.5.26.2023-07-17T20:34:13Z) https://github.com/owlcs/owlapi | ||
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