Paraquat Dichloride
Everything that changed this flow. Back to the flow
4d9a8790-3ddd-11dd-961b-0050c2490048
By field
14 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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 3 catalogue altLabel value(s): 'AH 501' (grade code), 'AH 501 (herbicide)' (grade code), 'OK 622' (grade 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=paraquatdichloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory']; cas_sources={'1910-42-5': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-4b51b30c3760e39c: {'1910-42-5': '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 soil > Emissions to soil, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['1910-42-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_28786']; candidate_pubchem_cids=[15938, 15939, 593514, 5351279, 16218602, 21898168, 42609640, 91886352, 129893644]; selected_pubchem_cids=[15938]; 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 |
| roles | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 17,745 | bootstrap_labels | prefLabel | — | [{"@value":"Paraquat dichloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | Bootstrapped prefLabel from legacy name field |
| 17,746 | bootstrap_labels | name | Paraquat dichloride | — | Purged legacy name field to enforce prefLabel usage |
| 17,747 | bootstrap_labels | synonyms | ["1,1 -Dimethyl-4,4 -bipyridinium","1,1'-Dimethyl-4,4'-bipyridinium dichloride","1,1'-Dimethyl-4,4'-bipyridinium dichlo… | [] | Removed legacy synonyms field in favor of structured labels |
| 92,147 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 92,148 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 219,153 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,163 | normalize_name_case | prefLabel | [{"@value":"Paraquat dichloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | [{"@value":"Paraquat Dichloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 243,803 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H14Cl2N… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 243,804 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 243,805 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.016.015","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['1910-42-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_28786']; candidate_pubchem_cids=[15938, 15939, 593514, 5351279, 16218602, 21898168, 42609640, 91886352, 129893644]; selected_pubchem_cids=[15938]; 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 |
| 253,112 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H14Cl2N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H14Cl2N… | rdkit_pre_consensus from 'C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.[Cl-].[Cl-]'; added: monoisotopic_mass |
| 256,722 | chebi_altlabels | altLabel | [] | [{"@value":"1,1'-Dimethyl-4,4'-bipyridinium dichloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabe… | Added 8 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 270,371 | consensus_match | altLabel | [{"@value":"1,1'-Dimethyl-4,4'-bipyridinium dichloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabe… | [{"@value":"1,1'-Dimethyl-4,4'-bipyridinium dichloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabe… | group_key=paraquatdichloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=1910-42-5; added Common Chemistry CAS names as altLabel: 1,1′-Dimethyl-4,4′-bipyridinium dichloride, 1,1′-Dimethyl-4,4′-dipyridinium dichloride, 1,1′-Dimethyl-4,4′-dipyridylium dichloride, 4,4′-Bipyridinium, 1,1′-dimethyl-, chloride (1:2), 4,4′-Bipyridinium, 1,1′-dimethyl-, dichloride, <em>N</em>,<em>N</em>′-Dimethyl-4,4′-bipyridinium dichloride, <em>N</em>,<em>N</em>′-Dimethyl-4,4′-dipyridylium dichloride, AH 501, AH 501 (herbicide), Cekuquat, Cyclone Max, Dimethyl viologen chloride, Galokson, Gramixel, Gramoxone, Gramoxone 360 Pro, Gramoxone D, Gramoxone Inteon, Gramoxone Max, Gramoxone S, Gramoxone W, Gramoxone dichloride, Methylviologen chloride, Nuquat, OK 622, Paragreen A, Paraquat, Tocha; object_uuid=fo-4b51b30c3760e39c |
| 270,372 | consensus_match | cas_match_labels | — | {"1910-42-5":"exactMatch"} | group_key=paraquatdichloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory']; cas_sources={'1910-42-5': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-4b51b30c3760e39c: {'1910-42-5': 'exactMatch'} |
| 278,315 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H14Cl2N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H14Cl2N… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,1'-Dimethyl-4,4'-bipyridinium dichloride' |
| 285,068 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H14Cl2N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H14Cl2N… | rdkit_post_consensus from 'C[n+]1ccc(-c2cc[n+](C)cc2)cc1.[Cl-].[Cl-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,852 | strip_catalogue_altlabels | altLabel | [{"@value":"1,1'-Dimethyl-4,4'-bipyridinium dichloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabe… | [{"@value":"1,1'-Dimethyl-4,4'-bipyridinium dichloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabe… | Removed 3 catalogue altLabel value(s): 'AH 501' (grade code), 'AH 501 (herbicide)' (grade code), 'OK 622' (grade code) |
| 327,118 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4d9a8790-3ddd-… | associations resolved on the elementary layer |
| 392,700 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H14Cl2N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H14Cl2N… | typed the way the ontology types it |
| 401,284 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
| 401,285 | link_flows_to_their_substance | roles | — | [{"@id":"http://purl.obolibrary.org/obo/CHEBI_24527","rdfs:label":"herbicide","http://www.w3.org/2004/02/skos/core#defi… | the substance's answer, copied onto its flow |
PROV-O trail
21 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/20261019T0712047113160000/17745 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v0 | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v1 |
| ef:activity/change/20261019T0712047113160000/17746 | name | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v1 | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v2 |
| ef:activity/change/20261019T0712047113160000/17747 | synonyms | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v2 | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v3 |
| ef:activity/change/20261019T0712047113160000/92147 | context | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v3 | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v4 |
| ef:activity/change/20261019T0712047113160000/92148 | context_iri | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v4 | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v5 |
| ef:activity/change/20261019T0712047113160000/219153 | unit_iri | ef:agent/unit_normalization | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v5 | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v6 |
| ef:activity/change/20261019T0712047113160000/225163 | prefLabel | ef:agent/normalize_name_case | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v6 | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v7 |
| ef:activity/change/20261019T0712047113160000/243803 | properties | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v7 | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v8 |
| ef:activity/change/20261019T0712047113160000/243804 | skos_definition | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v8 | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v9 |
| ef:activity/change/20261019T0712047113160000/243805 | references | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v9 | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v10 |
| ef:activity/change/20261019T0712047113160000/253112 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v10 | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v11 |
| ef:activity/change/20261019T0712047113160000/256722 | altLabel | ef:agent/chebi_altlabels | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v11 | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v12 |
| ef:activity/change/20261019T0712047113160000/270371 | altLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v12 | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v13 |
| ef:activity/change/20261019T0712047113160000/270372 | cas_match_labels | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v13 | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v14 |
| ef:activity/change/20261019T0712047113160000/278315 | properties | ef:agent/opsin_iupac | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v14 | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v15 |
| ef:activity/change/20261019T0712047113160000/285068 | properties | ef:agent/rdkit_post_consensus | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v15 | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v16 |
| ef:activity/change/20261019T0712047113160000/290852 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v16 | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v17 |
| ef:activity/change/20261019T0712047113160000/327118 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v17 | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v18 |
| ef:activity/change/20261019T0712047113160000/392700 | properties | ef:agent/normalise_property_values | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v18 | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v19 |
| ef:activity/change/20261019T0712047113160000/401284 | types | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v19 | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v20 |
| ef:activity/change/20261019T0712047113160000/401285 | roles | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v20 | ef:flow/4d9a8790-3ddd-11dd-961b-0050c2490048/v21 |