Amantadine
Everything that changed this flow. Back to the flow
554e7c8b-af15-4456-bd1d-748046ba5e12
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 341865' (registry code) |
| 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=amantadine||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'768-94-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3ed57bebf3d55e52: {'768-94-5': '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 water > Emissions to water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, 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=['768-94-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_2618']; candidate_pubchem_cids=[2130, 64150]; selected_pubchem_cids=[2130]; 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 |
| synonyms | 1 | bootstrap_labels | Removed legacy synonyms field in favor of structured labels |
| 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 6,467 | bootstrap_labels | prefLabel | — | [{"@value":"amantadine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | Bootstrapped prefLabel from legacy name field |
| 6,468 | bootstrap_labels | name | amantadine | — | Purged legacy name field to enforce prefLabel usage |
| 6,469 | bootstrap_labels | synonyms | ["1-Adamantamine","1-Adamantanamine","1-Adamantanamine (8CI)","1-Adamantylamine","1-Aminoadamantane","1-Aminotricyclo(3… | [] | Removed legacy synonyms field in favor of structured labels |
| 100,564 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 100,565 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 215,499 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,578 | normalize_name_case | prefLabel | [{"@value":"amantadine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | [{"@value":"Amantadine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 233,392 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H17N"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 233,393 | enrich_references | skos_definition | — | [{"@value":"A member of the class of adamantanes that is used as an antiviral and antiparkinson drug.","@language":"en"… | Merged ChEBI/PubChem definitions into skos:definition |
| 233,394 | enrich_references | references | [] | [{"@id":"drugcentral:144","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"c… | Added references with provenance; cas_numbers=['768-94-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_2618']; candidate_pubchem_cids=[2130, 64150]; selected_pubchem_cids=[2130]; 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 |
| 255,177 | chebi_altlabels | altLabel | [] | [{"@value":"1-adamantanamine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo"… | Added 13 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 263,734 | consensus_match | altLabel | [{"@value":"1-adamantanamine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo"… | [{"@value":"1-adamantanamine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo"… | group_key=amantadine||dimension=Environmental > media=Ground > geography=Unknown; cas=768-94-5; added Common Chemistry CAS names as altLabel: (Adamantan-1-yl)amine, 1-Adamantamine, 1-Amantadine, Adamantamine, Adamantanamine, Adamantylamine, MeSH ID: D000547, NSC 341865, Tricyclo[3.3.1.1<sup>3,7</sup>]decan-1-amine, Tricyclo[3.3.1.1<sup>3,7</sup>]decane-1-amine; object_uuid=fo-3ed57bebf3d55e52 |
| 263,735 | consensus_match | cas_match_labels | — | {"768-94-5":"exactMatch"} | group_key=amantadine||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'768-94-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3ed57bebf3d55e52: {'768-94-5': 'exactMatch'} |
| 275,243 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H17N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H17N"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-adamantanamine' |
| 281,748 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H17N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H17N"],… | rdkit_post_consensus from 'NC12CC3CC(CC(C3)C1)C2'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,573 | strip_catalogue_altlabels | altLabel | [{"@value":"1-adamantanamine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo"… | [{"@value":"1-adamantanamine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo"… | Removed 1 catalogue altLabel value(s): 'NSC 341865' (registry code) |
| 331,279 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/554e7c8b-af15-… | associations resolved on the elementary layer |
| 389,547 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H17N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H17N"],… | typed the way the ontology types it |
| 396,746 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260821T1554374006150000/6467 | prefLabel | ef:agent/bootstrap_labels | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v0 | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v1 |
| ef:activity/change/20260821T1554374006150000/6468 | name | ef:agent/bootstrap_labels | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v1 | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v2 |
| ef:activity/change/20260821T1554374006150000/6469 | synonyms | ef:agent/bootstrap_labels | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v2 | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v3 |
| ef:activity/change/20260821T1554374006150000/100564 | context | ef:agent/default_context_mapping | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v3 | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v4 |
| ef:activity/change/20260821T1554374006150000/100565 | context_iri | ef:agent/default_context_mapping | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v4 | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v5 |
| ef:activity/change/20260821T1554374006150000/215499 | unit_iri | ef:agent/unit_normalization | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v5 | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v6 |
| ef:activity/change/20260821T1554374006150000/222578 | prefLabel | ef:agent/normalize_name_case | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v6 | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v7 |
| ef:activity/change/20260821T1554374006150000/233392 | properties | ef:agent/enrich_references | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v7 | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v8 |
| ef:activity/change/20260821T1554374006150000/233393 | skos_definition | ef:agent/enrich_references | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v8 | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v9 |
| ef:activity/change/20260821T1554374006150000/233394 | references | ef:agent/enrich_references | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v9 | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v10 |
| ef:activity/change/20260821T1554374006150000/255177 | altLabel | ef:agent/chebi_altlabels | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v10 | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v11 |
| ef:activity/change/20260821T1554374006150000/263734 | altLabel | ef:agent/consensus_match | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v11 | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v12 |
| ef:activity/change/20260821T1554374006150000/263735 | cas_match_labels | ef:agent/consensus_match | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v12 | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v13 |
| ef:activity/change/20260821T1554374006150000/275243 | properties | ef:agent/opsin_iupac | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v13 | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v14 |
| ef:activity/change/20260821T1554374006150000/281748 | properties | ef:agent/rdkit_post_consensus | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v14 | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v15 |
| ef:activity/change/20260821T1554374006150000/288573 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v15 | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v16 |
| ef:activity/change/20260821T1554374006150000/331279 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v16 | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v17 |
| ef:activity/change/20260821T1554374006150000/389547 | properties | ef:agent/normalise_property_values | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v17 | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v18 |
| ef:activity/change/20260821T1554374006150000/396746 | types | ef:agent/link_flows_to_their_substance | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v18 | ef:flow/554e7c8b-af15-4456-bd1d-748046ba5e12/v19 |