Pyrimethamine
Everything that changed this flow. Back to the flow
0d3711fb-9222-4793-aeb6-cf9e75d00de2
By field
13 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): 'NSC 3061' (registry code), 'RP 4753' (grade code), 'WR 2978' (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=pyrimethamine||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'58-14-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2dc33340e0314b3e: {'58-14-0': '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=['58-14-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_47343', 'http://purl.obolibrary.org/obo/CHEBI_8673']; candidate_pubchem_cids=[4993, 44201349]; selected_pubchem_cids=[4993]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 9,639 | bootstrap_labels | prefLabel | — | [{"@value":"pyrimethamine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | Bootstrapped prefLabel from legacy name field |
| 9,640 | bootstrap_labels | name | pyrimethamine | — | Purged legacy name field to enforce prefLabel usage |
| 9,641 | bootstrap_labels | synonyms | ["2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine","2,4-Diamino-5-(p-chlorophenyl)-6-ethylpyrimidine","2,4-Diamino-5-c… | [] | Removed legacy synonyms field in favor of structured labels |
| 44,244 | 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) |
| 44,245 | 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) |
| 216,542 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,353 | normalize_name_case | prefLabel | [{"@value":"pyrimethamine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | [{"@value":"Pyrimethamine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 236,392 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H13ClN4… | Added ChEBI/PubChem properties (chebi_ids=2, pubchem_cids=1) |
| 236,393 | enrich_references | skos_definition | — | [{"@value":"An aminopyrimidine that is pyrimidine-2,4-diamine which is substituted at position 5 by a p-chlorophenyl gr… | Merged ChEBI/PubChem definitions into skos:definition |
| 236,394 | enrich_references | references | [] | [{"@id":"drugcentral:2332","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['58-14-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_47343', 'http://purl.obolibrary.org/obo/CHEBI_8673']; candidate_pubchem_cids=[4993, 44201349]; selected_pubchem_cids=[4993]; 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 |
| 250,963 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H13ClN4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H13ClN4… | rdkit_pre_consensus from 'CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl'; added: monoisotopic_mass |
| 255,763 | chebi_altlabels | altLabel | [] | [{"@value":"2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_a… | Added 22 ChEBI synonym(s) as altLabel from 2 linked ChEBI record(s) |
| 271,225 | consensus_match | altLabel | [{"@value":"2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_a… | [{"@value":"2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_a… | group_key=pyrimethamine||dimension=Environmental > media=Water > water_body=Unknown; cas=58-14-0; added Common Chemistry CAS names as altLabel: 2,4-Diamino-5-<em>p</em>-chlorophenyl-6-ethylpyrimidine, 2,4-Pyrimidinediamine, 5-(4-chlorophenyl)-6-ethyl-, 4753 R.P., 5-(4-Chlorophenyl)-2,4-diamino-6-ethylpyrimidine, 5-(<em>P</em>-Chlorophenyl)-6-ethyl-2,4-diaminopyrimidine, BW 50-63, Broad ID:BRD-K 88429204, Darachlor, Darapram, Daraprim, Daraprime, Erbaprelina, Khloridin, Malacid, Malocid, Malocide, MeSH ID: D011739, NSC 3061, Pyrimidine, 2,4-diamino-5-(<em>p</em>-chlorophenyl)-6-ethyl-, RP 4753, Tindurin, Tinduring, WR 2978; object_uuid=fo-2dc33340e0314b3e |
| 271,226 | consensus_match | cas_match_labels | — | {"58-14-0":"exactMatch"} | group_key=pyrimethamine||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'58-14-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2dc33340e0314b3e: {'58-14-0': 'exactMatch'} |
| 276,150 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H13ClN4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H13ClN4… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine' |
| 282,730 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H13ClN4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H13ClN4… | rdkit_post_consensus from 'CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,277 | strip_catalogue_altlabels | altLabel | [{"@value":"2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_a… | [{"@value":"2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_a… | Removed 3 catalogue altLabel value(s): 'NSC 3061' (registry code), 'RP 4753' (grade code), 'WR 2978' (grade code) |
| 303,148 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0d3711fb-9222-… | associations resolved on the elementary layer |
| 390,497 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H13ClN4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H13ClN4… | typed the way the ontology types it |
| 398,126 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260821T1302361922970000/9639 | prefLabel | ef:agent/bootstrap_labels | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v0 | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v1 |
| ef:activity/change/20260821T1302361922970000/9640 | name | ef:agent/bootstrap_labels | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v1 | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v2 |
| ef:activity/change/20260821T1302361922970000/9641 | synonyms | ef:agent/bootstrap_labels | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v2 | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v3 |
| ef:activity/change/20260821T1302361922970000/44244 | context | ef:agent/default_context_mapping | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v3 | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v4 |
| ef:activity/change/20260821T1302361922970000/44245 | context_iri | ef:agent/default_context_mapping | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v4 | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v5 |
| ef:activity/change/20260821T1302361922970000/216542 | unit_iri | ef:agent/unit_normalization | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v5 | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v6 |
| ef:activity/change/20260821T1302361922970000/223353 | prefLabel | ef:agent/normalize_name_case | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v6 | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v7 |
| ef:activity/change/20260821T1302361922970000/236392 | properties | ef:agent/enrich_references | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v7 | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v8 |
| ef:activity/change/20260821T1302361922970000/236393 | skos_definition | ef:agent/enrich_references | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v8 | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v9 |
| ef:activity/change/20260821T1302361922970000/236394 | references | ef:agent/enrich_references | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v9 | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v10 |
| ef:activity/change/20260821T1302361922970000/250963 | properties | ef:agent/rdkit_pre_consensus | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v10 | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v11 |
| ef:activity/change/20260821T1302361922970000/255763 | altLabel | ef:agent/chebi_altlabels | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v11 | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v12 |
| ef:activity/change/20260821T1302361922970000/271225 | altLabel | ef:agent/consensus_match | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v12 | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v13 |
| ef:activity/change/20260821T1302361922970000/271226 | cas_match_labels | ef:agent/consensus_match | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v13 | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v14 |
| ef:activity/change/20260821T1302361922970000/276150 | properties | ef:agent/opsin_iupac | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v14 | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v15 |
| ef:activity/change/20260821T1302361922970000/282730 | properties | ef:agent/rdkit_post_consensus | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v15 | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v16 |
| ef:activity/change/20260821T1302361922970000/289277 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v16 | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v17 |
| ef:activity/change/20260821T1302361922970000/303148 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v17 | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v18 |
| ef:activity/change/20260821T1302361922970000/390497 | properties | ef:agent/normalise_property_values | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v18 | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v19 |
| ef:activity/change/20260821T1302361922970000/398126 | types | ef:agent/link_flows_to_their_substance | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v19 | ef:flow/0d3711fb-9222-4793-aeb6-cf9e75d00de2/v20 |