Isocyanic Acid
Everything that changed this flow. Back to the flow
ac481eb2-e526-4785-9d42-7e0ae9df1097
By field
12 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 2 | chebi_altlabels, consensus_match | group_key=isocyanicacid||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=75-13-8; added Common Chemistry CAS names as altLabel: Isocyanic acid (HNCO); object_uuid=fo-c22ccbf346ec6e6b |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=isocyanicacid||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'pubchem']; cas_sources={'75-13-8': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c22ccbf346ec6e6b: {'75-13-8': 'exactMatch'} |
| concept_associations | 1 | carry_associations_onto_flows | associations resolved on the elementary layer |
| context | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['75-13-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_29202']; candidate_pubchem_cids=[6347]; selected_pubchem_cids=[6347]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| skos_definition | 1 | enrich_references | Merged ChEBI/PubChem definitions into skos:definition |
| types | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| unit_iri | 1 | unit_normalization | Unit IRI set from normalization of 'kg' |
Where several steps wrote one field, the last one won — and the log below shows the sequence.
Changes
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 21,102 | bootstrap_labels | prefLabel | — | [{"@value":"Isocyanic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | Bootstrapped prefLabel from legacy name field |
| 21,103 | bootstrap_labels | name | Isocyanic acid | — | Purged legacy name field to enforce prefLabel usage |
| 152,322 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 152,323 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 220,134 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,874 | normalize_name_case | prefLabel | [{"@value":"Isocyanic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | [{"@value":"Isocyanic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 246,563 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CHNO"],"at… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 246,564 | enrich_references | skos_definition | — | [{"@value":"A colourless, volatile, poisonous inorganic compound with the formula HNCO; the simplest stable chemical co… | Merged ChEBI/PubChem definitions into skos:definition |
| 246,565 | enrich_references | references | [] | [{"@id":"gmelin:840","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"consen… | Added references with provenance; cas_numbers=['75-13-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_29202']; candidate_pubchem_cids=[6347]; selected_pubchem_cids=[6347]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| 253,915 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CHNO"],"at… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CHNO"],"at… | rdkit_pre_consensus from 'C(=N)=O'; added: monoisotopic_mass |
| 257,058 | chebi_altlabels | altLabel | [] | [{"@value":"HN=C=O","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensu… | Added 11 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 268,087 | consensus_match | altLabel | [{"@value":"HN=C=O","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensu… | [{"@value":"HN=C=O","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensu… | group_key=isocyanicacid||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=75-13-8; added Common Chemistry CAS names as altLabel: Isocyanic acid (HNCO); object_uuid=fo-c22ccbf346ec6e6b |
| 268,088 | consensus_match | cas_match_labels | — | {"75-13-8":"exactMatch"} | group_key=isocyanicacid||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'pubchem']; cas_sources={'75-13-8': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c22ccbf346ec6e6b: {'75-13-8': 'exactMatch'} |
| 279,101 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CHNO"],"at… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CHNO"],"at… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Isocyanic Acid' |
| 285,951 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CHNO"],"at… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CHNO"],"at… | rdkit_post_consensus from 'N=C=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 357,184 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/ac481eb2-e526-… | associations resolved on the elementary layer |
| 393,494 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CHNO"],"at… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CHNO"],"at… | typed the way the ontology types it |
| 402,495 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 activitiesOne activity per change: which version of the flow it consumed, and which it produced. The values are on the change with the same number — stored once, not twice.
| Activity | Field | Agent | Used | Generated |
|---|---|---|---|---|
| ef:activity/change/20260822T0600486828500000/21102 | prefLabel | ef:agent/bootstrap_labels | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v0 | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v1 |
| ef:activity/change/20260822T0600486828500000/21103 | name | ef:agent/bootstrap_labels | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v1 | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v2 |
| ef:activity/change/20260822T0600486828500000/152322 | context | ef:agent/default_context_mapping | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v2 | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v3 |
| ef:activity/change/20260822T0600486828500000/152323 | context_iri | ef:agent/default_context_mapping | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v3 | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v4 |
| ef:activity/change/20260822T0600486828500000/220134 | unit_iri | ef:agent/unit_normalization | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v4 | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v5 |
| ef:activity/change/20260822T0600486828500000/225874 | prefLabel | ef:agent/normalize_name_case | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v5 | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v6 |
| ef:activity/change/20260822T0600486828500000/246563 | properties | ef:agent/enrich_references | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v6 | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v7 |
| ef:activity/change/20260822T0600486828500000/246564 | skos_definition | ef:agent/enrich_references | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v7 | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v8 |
| ef:activity/change/20260822T0600486828500000/246565 | references | ef:agent/enrich_references | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v8 | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v9 |
| ef:activity/change/20260822T0600486828500000/253915 | properties | ef:agent/rdkit_pre_consensus | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v9 | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v10 |
| ef:activity/change/20260822T0600486828500000/257058 | altLabel | ef:agent/chebi_altlabels | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v10 | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v11 |
| ef:activity/change/20260822T0600486828500000/268087 | altLabel | ef:agent/consensus_match | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v11 | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v12 |
| ef:activity/change/20260822T0600486828500000/268088 | cas_match_labels | ef:agent/consensus_match | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v12 | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v13 |
| ef:activity/change/20260822T0600486828500000/279101 | properties | ef:agent/opsin_iupac | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v13 | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v14 |
| ef:activity/change/20260822T0600486828500000/285951 | properties | ef:agent/rdkit_post_consensus | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v14 | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v15 |
| ef:activity/change/20260822T0600486828500000/357184 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v15 | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v16 |
| ef:activity/change/20260822T0600486828500000/393494 | properties | ef:agent/normalise_property_values | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v16 | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v17 |
| ef:activity/change/20260822T0600486828500000/402495 | types | ef:agent/link_flows_to_their_substance | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v17 | ef:flow/ac481eb2-e526-4785-9d42-7e0ae9df1097/v18 |