okg-ml.yaml

---
_meta:
  name: OKG-ML
  version: 1.0.0
classes:
  RecordPK:
    description: A record in the dataset
    types:
      - 'http://example.com/RecordPK' # measure group?
  Measure_Group:
    description: Measure group (connects assay with endpoint)
    types:
      - BAO:0000040
  Chemical_Entity:
    description: A chemical entity
    types:
      - CHEMINF:000000
      - biolink:ChemicalEntity
  Endpoint:
    description: Endpoint result
    types:
      - BAO:0000179
  Assay:
    description: bioassay
    types:
      - BAO:0000015
  HitcallEndpoint:
    description: Endpoint result (for hitcall)
    types:
      - BAO:0000179
  CAS_RN:
    description: CAS registry number.
    prefix: CAS
    types:
      - CHEMINF:000446
  DSSTOX_SID:
    description: DSSTOX substance identifier
    types:
      - CHEMINF:000568
    uri: 'https://comptox.epa.gov/dashboard/chemical/details/{value}'
  Assay_InvitroDB:
    note: same as Assay class
    description: |
      bioassay found in InvitroDB.

      Identifier is underscore word (/\w+/) not an integer ID (aeid in ToxCast).
    types:
      - BAO:0000015
    uri: 'https://comptox.epa.gov/dashboard/assay-endpoints/{value}'
  MechanisticTarget_NCIm_Term:
    description: |
      Type BAO:0003064 is a 'target'
    types:
      - BAO:0003064
      - EDAM:data_1181 # UMLS concept ID
    prefix: ncim
  NCBIGene:
    types:
      - EDAM:data_1027 # NCBI Gene ID
    prefix: ncbigene
datasets:
  bindingdb:
    inputs:
      data-source/bindingdb/full_tsv_dump.parquet:
        elements:
          - BindingDB Reactant_set_id:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - BindingDB Reactant_set_id
              mapper: {}
          - Ligand SMILES:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - Ligand SMILES
              mapper: {}
          - Ligand InChI:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - Ligand InChI
              mapper: {}
          - Ligand InChI Key:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - Ligand InChI Key
              mapper: {}
          - BindingDB MonomerID:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - BindingDB MonomerID
              mapper: {}
          - BindingDB Ligand Name:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - BindingDB Ligand Name
              mapper: {}
          - Target Name:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - Target Name
              mapper: {}
          - Target Source Organism According to Curator or DataSource:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - Target Source Organism According to Curator or DataSource
              mapper: {}
          - Ki (nM):
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - Ki (nM)
              mapper: {}
          - IC50 (nM):
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - IC50 (nM)
              mapper: {}
          - Kd (nM):
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - Kd (nM)
              mapper: {}
          - EC50 (nM):
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - EC50 (nM)
              mapper: {}
          - kon (M-1-s-1):
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - kon (M-1-s-1)
              mapper: {}
          - koff (s-1):
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - koff (s-1)
              mapper: {}
          - pH:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - pH
              mapper: {}
          - Temp (C):
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - Temp (C)
              mapper: {}
          - Curation/DataSource:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - Curation/DataSource
              mapper: {}
          - Article DOI:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - Article DOI
              mapper: {}
          - BindingDB Entry DOI:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - BindingDB Entry DOI
              mapper: {}
          - PMID:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - PMID
              mapper: {}
          - PubChem AID:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - PubChem AID
              mapper: {}
          - Patent Number:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - Patent Number
              mapper: {}
          - Authors:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - Authors
              mapper: {}
          - Institution:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - Institution
              mapper: {}
          - Link to Ligand in BindingDB:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - Link to Ligand in BindingDB
              mapper: {}
          - Link to Target in BindingDB:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - Link to Target in BindingDB
              mapper: {}
          - Link to Ligand-Target Pair in BindingDB:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - Link to Ligand-Target Pair in BindingDB
              mapper: {}
          - Ligand HET ID in PDB:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - Ligand HET ID in PDB
              mapper: {}
          - PDB ID(s) for Ligand-Target Complex:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - PDB ID(s) for Ligand-Target Complex
              mapper: {}
          - PubChem CID:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - PubChem CID
              mapper: {}
          - PubChem SID:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - PubChem SID
              mapper: {}
          - ChEBI ID of Ligand:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - ChEBI ID of Ligand
              mapper: {}
          - ChEMBL ID of Ligand:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - ChEMBL ID of Ligand
              mapper: {}
          - DrugBank ID of Ligand:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - DrugBank ID of Ligand
              mapper: {}
          - IUPHAR_GRAC ID of Ligand:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - IUPHAR_GRAC ID of Ligand
              mapper: {}
          - KEGG ID of Ligand:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - KEGG ID of Ligand
              mapper: {}
          - ZINC ID of Ligand:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - ZINC ID of Ligand
              mapper: {}
          - Number of Protein Chains in Target (>1 implies a multichain complex):
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - Number of Protein Chains in Target (>1 implies a multichain complex)
              mapper: {}
          - BindingDB Target Chain Sequence:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - BindingDB Target Chain Sequence
              mapper: {}
          - PDB ID(s) of Target Chain:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - PDB ID(s) of Target Chain
              mapper: {}
          - UniProt (SwissProt) Recommended Name of Target Chain:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - UniProt (SwissProt) Recommended Name of Target Chain
              mapper: {}
          - UniProt (SwissProt) Entry Name of Target Chain:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - UniProt (SwissProt) Entry Name of Target Chain
              mapper: {}
          - UniProt (SwissProt) Primary ID of Target Chain:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - UniProt (SwissProt) Primary ID of Target Chain
              mapper: {}
          - UniProt (SwissProt) Secondary ID(s) of Target Chain:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - UniProt (SwissProt) Secondary ID(s) of Target Chain
              mapper: {}
          - UniProt (SwissProt) Alternative ID(s) of Target Chain:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - UniProt (SwissProt) Alternative ID(s) of Target Chain
              mapper: {}
          - UniProt (TrEMBL) Submitted Name of Target Chain:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - UniProt (TrEMBL) Submitted Name of Target Chain
              mapper: {}
          - UniProt (TrEMBL) Entry Name of Target Chain:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - UniProt (TrEMBL) Entry Name of Target Chain
              mapper: {}
          - UniProt (TrEMBL) Primary ID of Target Chain:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - UniProt (TrEMBL) Primary ID of Target Chain
              mapper: {}
          - UniProt (TrEMBL) Secondary ID(s) of Target Chain:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - UniProt (TrEMBL) Secondary ID(s) of Target Chain
              mapper: {}
          - UniProt (TrEMBL) Alternative ID(s) of Target Chain:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - UniProt (TrEMBL) Alternative ID(s) of Target Chain
              mapper: {}
      data-source/bindingdb/mysql_dump/JChemProperties.parquet:
        elements:
          - prop_name:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - prop_name
              mapper: {}
          - prop_value:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - prop_value
              mapper: {}
          - prop_value_ext:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - prop_value_ext
              mapper: {}
      data-source/bindingdb/mysql_dump/art_aut.parquet:
        elements:
          - firstname:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - firstname
              mapper: {}
          - contact:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - contact
              mapper: {}
          - articleid:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - articleid
              mapper: {}
          - auth_seq:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - auth_seq
              mapper: {}
          - authorid:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - authorid
              mapper: {}
          - lastname:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - lastname
              mapper: {}
      data-source/bindingdb/mysql_dump/article.parquet:
        elements:
          - volume:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - volume
              mapper: {}
          - month:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - month
              mapper: {}
          - year:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - year
              mapper: {}
          - firstpage:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - firstpage
              mapper: {}
          - journalid:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - journalid
              mapper: {}
          - articleid:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - articleid
              mapper: {}
          - lastpage:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - lastpage
              mapper: {}
          - abstract:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - abstract
              mapper: {}
          - title:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - title
              mapper: {}
          - pmid:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - pmid
              mapper: {}
          - day:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - day
              mapper: {}
          - doi:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - doi
              mapper: {}
      data-source/bindingdb/mysql_dump/article_kword.parquet:
        elements:
          - articleid:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - articleid
              mapper: {}
          - kword:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - kword
              mapper: {}
      data-source/bindingdb/mysql_dump/assay.parquet:
        elements:
          - assayid:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - assayid
              mapper: {}
          - description:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - description
              mapper: {}
          - assay_name:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - assay_name
              mapper: {}
          - entryid:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - entryid
              mapper: {}
      data-source/bindingdb/mysql_dump/cobweb_bdb.parquet:
        elements:
          - affinity_strength:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - affinity_strength
              mapper: {}
          - target_name:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - target_name
              mapper: {}
          - monomer_id:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - monomer_id
              mapper: {}
          - source_organism:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - source_organism
              mapper: {}
          - affinity_value_display:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - affinity_value_display
              mapper: {}
          - reactant_set_id:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - reactant_set_id
              mapper: {}
          - affinity_type:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - affinity_type
              mapper: {}
          - affinity_value:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - affinity_value
              mapper: {}
          - inhibitor_name:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - inhibitor_name
              mapper: {}
      data-source/bindingdb/mysql_dump/complex.parquet:
        elements:
          - n_pdb_ids:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - n_pdb_ids
              mapper: {}
          - comments:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - comments
              mapper: {}
          - pdb_ids:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - pdb_ids
              mapper: {}
          - weight:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - weight
              mapper: {}
          - complexid:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - complexid
              mapper: {}
          - component_count:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - component_count
              mapper: {}
          - type:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - type
              mapper: {}
          - display_name:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - display_name
              mapper: {}
          - chembl_id:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - chembl_id
              mapper: {}
      data-source/bindingdb/mysql_dump/complex_component.parquet:
        elements:
          - componentid:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - componentid
              mapper: {}
          - polymerid:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - polymerid
              mapper: {}
          - complexid:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - complexid
              mapper: {}
          - type:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - type
              mapper: {}
          - monomerid:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - monomerid
              mapper: {}
      data-source/bindingdb/mysql_dump/complex_name.parquet:
        elements:
          - name:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - name
              mapper: {}
          - complexid:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - complexid
              mapper: {}
      data-source/bindingdb/mysql_dump/data_fit_meth.parquet:
        elements:
          - data_fit_software:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - data_fit_software
              mapper: {}
          - comments:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - comments
              mapper: {}
          - data_fit_meth_desc:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - data_fit_meth_desc
              mapper: {}
          - data_fit_meth_id:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
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        _note: >-
          Skipping this until the Mixture / Chemical can be separated.
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      data-source/ice/Acute_Inhalation_Toxicity_Data.parquet:
        _note: >-
          Skipping this until the Mixture / Chemical can be separated.
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                ValueLabel:
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              mapper: {}
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                ValueLabel:
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              mapper: {}
          - Death:
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                Value: ~
                ValueLabel:
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                ValueLabel:
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                - Test
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                Value: ~
                ValueLabel:
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          - URL:
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                ValueLabel:
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                - URL
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      data-source/ice/Acute_Oral_Toxicity_Data.parquet:
        _note: >-
          Skipping this until the Mixture / Chemical can be separated.
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                Value: ~
                ValueLabel:
                  class: ~
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                - Data Name
              mapper: {}
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                ValueLabel:
                  class: ~
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                Value: ~
                ValueLabel:
                  class: ~
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                ValueLabel:
                  class: ~
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                Value: ~
                ValueLabel:
                  class: ~
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                Value: ~
                ValueLabel:
                  class: ~
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                - Formulation ID
              mapper: {}
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                Value: ~
                ValueLabel:
                  class: ~
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                - Formulation Name
              mapper: {}
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                Value: ~
                ValueLabel:
                  class: ~
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              mapper: {}
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                ValueLabel:
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                - Sex
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                ValueLabel:
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                  class: ~
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                - Endpoint
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                Value: ~
                ValueLabel:
                  class: ~
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                - Response
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                Value: ~
                ValueLabel:
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                Value: ~
                ValueLabel:
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                - Reference
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          - URL:
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                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - URL
              mapper: {}
      data-source/ice/AndrogenMOA_AndrogenMOA.parquet:
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                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
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                ValueLabel:
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                Value: ~
                ValueLabel:
                  class: ~
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                - Assay_MOA
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                Value: ~
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                Value: ~
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                  class: ~
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                  class: ~
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                Value: ~
                ValueLabel:
                  class: ~
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                - Assay_MechanisticTarget
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                  class: ~
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                Value:
                  value: ICE_MT
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                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
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                - MT_NCIm_term
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                Value: ~
                ValueLabel:
                  class: ~
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                - MT_NCIm_term_ID
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                Class:
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      data-source/ice/CancerMOA_CancerMOA.parquet:
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                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
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                  class: ~
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                - Assay_MOA
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                  class: ~
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                  class: ~
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      data-source/ice/Cancer_Data.parquet:
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                Value: ~
                ValueLabel:
                  class: ~
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                Value: ~
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                ValueLabel:
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                ValueLabel:
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                Value: ~
                ValueLabel:
                  class: ~
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                - Sex
              mapper: {}
          - Route:
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                Value: ~
                ValueLabel:
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              mapper:
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                ValueLabel:
                  class: ~
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          - Tissue:
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                ValueLabel:
                  class: ~
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                - Tissue
              mapper: {}
          - Location:
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                Value: ~
                ValueLabel:
                  class: ~
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                - Location
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          - Lesion:
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                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
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          - Lesion.(Incidence):
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                ValueLabel:
                  class: ~
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              mapper: {}
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          - URL:
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                ValueLabel:
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                - URL
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      data-source/ice/CardioToxMOA_CardioToxTMOA.parquet:
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                Value: ~
                ValueLabel:
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      data-source/ice/CardioToxTMOA_CardioToxTMOA.parquet:
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                  class: ~
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                - MT_NCIm_term_ID
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      data-source/ice/ChemcialQC_Column_Descriptions.parquet:
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                - 'Unnamed: 0'
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          - 'Unnamed: 1':
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          Skipping this until the Mixture / Chemical can be separated.
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          Skipping this until the Mixture / Chemical can be separated.
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          - MT_NCIm_term_ID:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - MT_NCIm_term_ID
              mapper:
                Class:
                  class: MechanisticTarget_NCIm_Term
  tox21:
    inputs:
      data-source/tox21/tox21.parquet:
        elements:
          - SAMPLE_ID:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - SAMPLE_ID
              mapper: {}
          - SAMPLE_DATA_ID:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - SAMPLE_DATA_ID
              mapper: {}
          - PROTOCOL_NAME:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - PROTOCOL_NAME
              mapper: {}
          - SAMPLE_DATA_TYPE:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - SAMPLE_DATA_TYPE
              mapper: {}
          - ASSAY_OUTCOME:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - ASSAY_OUTCOME
              mapper: {}
          - CURVE_CLASS2:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - CURVE_CLASS2
              mapper: {}
          - AC50:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - AC50
              mapper: {}
          - EFFICACY:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - EFFICACY
              mapper: {}
          - ZERO_ACTIVITY:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - ZERO_ACTIVITY
              mapper: {}
          - INF_ACTIVITY:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - INF_ACTIVITY
              mapper: {}
          - HILL_COEF:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - HILL_COEF
              mapper: {}
          - R2:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - R2
              mapper: {}
          - P_HILL:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - P_HILL
              mapper: {}
          - CHANNEL_OUTCOME:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - CHANNEL_OUTCOME
              mapper: {}
          - DATA0:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - DATA0
              mapper: {}
          - DATA1:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - DATA1
              mapper: {}
          - DATA2:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - DATA2
              mapper: {}
          - DATA3:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - DATA3
              mapper: {}
          - DATA4:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - DATA4
              mapper: {}
          - DATA5:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - DATA5
              mapper: {}
          - DATA6:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - DATA6
              mapper: {}
          - DATA7:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - DATA7
              mapper: {}
          - DATA8:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - DATA8
              mapper: {}
          - DATA9:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - DATA9
              mapper: {}
          - DATA10:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - DATA10
              mapper: {}
          - DATA11:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - DATA11
              mapper: {}
          - DATA12:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - DATA12
              mapper: {}
          - DATA13:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - DATA13
              mapper: {}
          - DATA14:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - DATA14
              mapper: {}
          - DATA15:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - DATA15
              mapper: {}
          - CONC0:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - CONC0
              mapper: {}
          - CONC1:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - CONC1
              mapper: {}
          - CONC2:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - CONC2
              mapper: {}
          - CONC3:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - CONC3
              mapper: {}
          - CONC4:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - CONC4
              mapper: {}
          - CONC5:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - CONC5
              mapper: {}
          - CONC6:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - CONC6
              mapper: {}
          - CONC7:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - CONC7
              mapper: {}
          - CONC8:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - CONC8
              mapper: {}
          - CONC9:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - CONC9
              mapper: {}
          - CONC10:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - CONC10
              mapper: {}
          - CONC11:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - CONC11
              mapper: {}
          - CONC12:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - CONC12
              mapper: {}
          - CONC13:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - CONC13
              mapper: {}
          - CONC14:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - CONC14
              mapper: {}
          - CONC15:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - CONC15
              mapper: {}
          - CAS:
              _note: |
                Some of these do not have CAS RNs. These match /^NOCAS_.*/.
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - CAS
              mapper:
                Class:
                  class: CAS_RN
          - PUBCHEM_CID:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - PUBCHEM_CID
              mapper: {}
          - PUBCHEM_SID:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - PUBCHEM_SID
              mapper: {}
          - PURITY_RATING:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - PURITY_RATING
              mapper: {}
          - PURITY_RATING_4M:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - PURITY_RATING_4M
              mapper: {}
          - SAMPLE_NAME:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - SAMPLE_NAME
              mapper:
                Value:
                  value: Chemical_Name
          - SMILES:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - SMILES
              mapper: {}
          - TOX21_ID:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - TOX21_ID
              mapper: {}
          - PURITY:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - PURITY
              mapper: {}
      data-source/tox21/tox21_aggregated.parquet:
        elements:
          - SAMPLE_ID:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - SAMPLE_ID
              mapper: {}
          - PROTOCOL_NAME:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - PROTOCOL_NAME
              mapper: {}
          - SAMPLE_DATA_TYPE:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - SAMPLE_DATA_TYPE
              mapper: {}
          - ASSAY_OUTCOME:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - ASSAY_OUTCOME
              mapper: {}
          - CHANNEL_OUTCOME:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - CHANNEL_OUTCOME
              mapper: {}
          - AC50:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - AC50
              mapper: {}
          - EFFICACY:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - EFFICACY
              mapper: {}
          - REPRODUCIBILITY:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - REPRODUCIBILITY
              mapper: {}
          - CURVE_RANK:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - CURVE_RANK
              mapper: {}
          - FLAG:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - FLAG
              mapper: {}
          - CAS:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - CAS
              mapper:
                Class:
                  class: CAS_RN
          - PUBCHEM_CID:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - PUBCHEM_CID
              mapper: {}
          - PUBCHEM_SID:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - PUBCHEM_SID
              mapper: {}
          - PURITY_RATING:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - PURITY_RATING
              mapper: {}
          - PURITY_RATING_4M:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - PURITY_RATING_4M
              mapper: {}
          - SAMPLE_NAME:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - SAMPLE_NAME
              mapper: {}
          - SMILES:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - SMILES
              mapper: {}
          - TOX21_ID:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - TOX21_ID
              mapper: {}
          - PURITY:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - PURITY
              mapper: {}
      data-source/tox21/tox21lib.parquet:
        elements:
          - SAMPLE_ID:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - SAMPLE_ID
              mapper: {}
          - TOX21_ID:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - TOX21_ID
              mapper: {}
          - CAS:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - CAS
              mapper:
                Class:
                  class: CAS_RN
          - PUBCHEM_SID:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - PUBCHEM_SID
              mapper: {}
          - SAMPLE_NAME:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - SAMPLE_NAME
              mapper: {}
          - PURITY_RATING:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - PURITY_RATING
              mapper: {}
          - PURITY_RATING_4M:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - PURITY_RATING_4M
              mapper: {}
          - PUBCHEM_CID:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - PUBCHEM_CID
              mapper: {}
          - LAST_MODIFIED:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - LAST_MODIFIED
              mapper: {}
          - SMILES:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - SMILES
              mapper: {}
  toxcast:
    inputs:
      data-source/toxcast/invitrodb.parquet:
        _note: |
          Need original data to differentiate between assay ID (`aid`), assay
          component ID (`acid`), and assay endpoint ID (`aeid`).
        elements:
          - _ChemicalEntity:
              columns:
                - dsstox_substance_id
              mapper:
                Class:
                  class: Chemical_Entity
          - _MeasureGroup:
              columns:
                - dsstox_substance_id
                - aeid
              mapper:
                Class:
                  class: Measure_Group
          - _HitcallEndpoint:
              columns:
                - aeid
                - dsstox_substance_id
              mapper:
                Class:
                  class: HitcallEndpoint
          - spid:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - spid
              mapper: {}
          - chid:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - chid
              mapper: {}
          - casn:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - casn
              mapper:
                Class:
                  class: CAS_RN
          - chnm:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - chnm
              mapper:
                Value:
                  value: Chemical_Name
          - dsstox_substance_id:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - dsstox_substance_id
              mapper:
                Class:
                  class: DSSTOX_SID
          - code:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - code
              mapper: {}
          - aeid:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - aeid
              mapper:
                Value:
                  value: AssayID_InvitroDB
          - aenm:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - aenm
              mapper:
                ValueLabel:
                  class: Assay_InvitroDB
          - m5id:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - m5id
              mapper: {}
          - m4id:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - m4id
              mapper: {}
          - bmad:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - bmad
              mapper: {}
          - resp_max:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - resp_max
              mapper: {}
          - resp_min:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - resp_min
              mapper: {}
          - max_mean:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - max_mean
              mapper: {}
          - max_mean_conc:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - max_mean_conc
              mapper: {}
          - max_med:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - max_med
              mapper: {}
          - max_med_conc:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - max_med_conc
              mapper: {}
          - logc_max:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - logc_max
              mapper: {}
          - logc_min:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - logc_min
              mapper: {}
          - cnst:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - cnst
              mapper: {}
          - hill:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - hill
              mapper: {}
          - hcov:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - hcov
              mapper: {}
          - gnls:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - gnls
              mapper: {}
          - gcov:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - gcov
              mapper: {}
          - cnst_er:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - cnst_er
              mapper: {}
          - cnst_aic:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - cnst_aic
              mapper: {}
          - cnst_rmse:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - cnst_rmse
              mapper: {}
          - cnst_prob:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - cnst_prob
              mapper: {}
          - hill_tp:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - hill_tp
              mapper: {}
          - hill_tp_sd:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - hill_tp_sd
              mapper: {}
          - hill_ga:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - hill_ga
              mapper: {}
          - hill_ga_sd:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - hill_ga_sd
              mapper: {}
          - hill_gw:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - hill_gw
              mapper: {}
          - hill_gw_sd:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - hill_gw_sd
              mapper: {}
          - hill_er:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - hill_er
              mapper: {}
          - hill_er_sd:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - hill_er_sd
              mapper: {}
          - hill_aic:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - hill_aic
              mapper: {}
          - hill_rmse:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - hill_rmse
              mapper: {}
          - hill_prob:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - hill_prob
              mapper: {}
          - gnls_tp:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - gnls_tp
              mapper: {}
          - gnls_tp_sd:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - gnls_tp_sd
              mapper: {}
          - gnls_ga:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - gnls_ga
              mapper: {}
          - gnls_ga_sd:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - gnls_ga_sd
              mapper: {}
          - gnls_gw:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - gnls_gw
              mapper: {}
          - gnls_gw_sd:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - gnls_gw_sd
              mapper: {}
          - gnls_la:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - gnls_la
              mapper: {}
          - gnls_la_sd:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - gnls_la_sd
              mapper: {}
          - gnls_lw:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - gnls_lw
              mapper: {}
          - gnls_lw_sd:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - gnls_lw_sd
              mapper: {}
          - gnls_er:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - gnls_er
              mapper: {}
          - gnls_er_sd:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - gnls_er_sd
              mapper: {}
          - gnls_aic:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - gnls_aic
              mapper: {}
          - gnls_rmse:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - gnls_rmse
              mapper: {}
          - gnls_prob:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - gnls_prob
              mapper: {}
          - nconc:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - nconc
              mapper: {}
          - npts:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - npts
              mapper: {}
          - nrep:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - nrep
              mapper: {}
          - nmed_gtbl:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - nmed_gtbl
              mapper: {}
          - hitc:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - hitc
              mapper:
                Value:
                  value: HitcallResponse
          - modl:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - modl
              mapper: {}
          - fitc:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - fitc
              mapper: {}
          - coff:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - coff
              mapper: {}
          - actp:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - actp
              mapper: {}
          - modl_er:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - modl_er
              mapper: {}
          - modl_tp:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - modl_tp
              mapper: {}
          - modl_ga:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - modl_ga
              mapper: {}
          - modl_gw:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - modl_gw
              mapper: {}
          - modl_la:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - modl_la
              mapper: {}
          - modl_lw:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - modl_lw
              mapper: {}
          - modl_rmse:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - modl_rmse
              mapper: {}
          - modl_prob:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - modl_prob
              mapper: {}
          - modl_acc:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - modl_acc
              mapper: {}
          - modl_acb:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - modl_acb
              mapper: {}
          - modl_ac10:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - modl_ac10
              mapper: {}
          - resp_unit:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - resp_unit
              mapper: {}
          - mc6_flags:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - mc6_flags
              mapper: {}
          - flag.length:
              _mapper_alts:
                Class:
                  class: ~
                Value: ~
                ValueLabel:
                  class: ~
              columns:
                - flag.length
              mapper: {}
mappings:
  - >-
    <(Assay)>
      BAO:0000209 <(Measure_Group)>. # (has measure group)

    <(Measure_Group)>
      OBI:0000299 <(Endpoint)>        ; # (has specified output)
      RO:0000057  <(Chemical_Entity)> . # (has participant)

    <(Chemical_Entity)>
      rdfs:label          "(Chemical_Name)" ;
      RO:0000056          <(Measure_Group)> ; # (participates in)
      EDAM:has_identifier <(CAS_RN)>        ;
      EDAM:has_identifier <(DSSTOX_SID)>    .

    <(Endpoint)>
      IAO:0000136   <(Chemical_Entity)> ; # (is about)
      SIO:000300    "(Response)"        ; # (has value)
      SIO:000221    "(Response_Unit)"   ; # (has unit)
      ExO:0000055   "(Route)"           . # route

    <(CAS_RN)>
      rdfs:label "(Chemical_Name)";
      dce:source "CAS"            .

    <(DSSTOX_SID)>
      rdfs:label "(Chemical_Name)";
      dce:source "CompTox"        .

    IAO:0000136    a puml:Inline; skos:prefLabel "is about".
    ExO:0000055    a puml:Inline; skos:prefLabel "route".
    RO:0000056     a puml:Inline; skos:prefLabel "participates in".
    BAO:0000209    a puml:Inline; skos:prefLabel "has measure group".
    OBI:0000299    a puml:Inline; skos:prefLabel "has specified output".
    RO:0000057     a puml:Inline; skos:prefLabel "has participant".
    CHEMINF:000000 a puml:Inline; skos:prefLabel "chemical entity".
    BAO:0000040    a puml:Inline; skos:prefLabel "measure group".
    BAO:0000179    a puml:Inline; skos:prefLabel "result".
    BAO:0000015    a puml:Inline; skos:prefLabel "bioassay".
    CHEMINF:000446 a puml:Inline; skos:prefLabel "CAS registry number".
    CHEMINF:000568 a puml:Inline; skos:prefLabel "DSSTOX substance identifier".
    SIO:000300     a puml:Inline; skos:prefLabel "has value".
    SIO:000221     a puml:Inline; skos:prefLabel "has unit".
  - >-
    <(Assay_InvitroDB)>
      puml:up-tri    <(Assay)>  .
    <(Assay_InvitroDB)>
      BAO:0000209 <(Measure_Group)>; # (has measure group)
      dce:source  "InvitroDB"      .

    <(Assay_InvitroDB)>
      invitrodb:assayID "(AssayID_InvitroDB)".

    <(Assay_InvitroDB)>
      ncim:C1708327                         <(MechanisticTarget_NCIm_Term)> . # (Has_Target)

    <(Assay_InvitroDB)>
      # NOTE: The MOA / MT is for a particular ToxicityEndpoint.
      iceprop:mayInformOn                   "(ICE_MOA)"                     ; # Mode of Action
      iceprop:throughMechanisticTarget      "(ICE_MT)"                      ; # Mechanistic Target
      iceprop:throughMechanisticTarget_NCIm <(MechanisticTarget_NCIm_Term)> .

    <(Assay_InvitroDB)>
      iceprop:assay_source               "(AssaySource_InvitroDB)"            ;
      iceprop:assay_species              "(AssaySpecies_InvitroDB)"           ;
      iceprop:assay_tissue               "(AssayTissue_InvitroDB)"            ;
      iceprop:assay_invitro_assay_format "(AssayInvitroAssayFormat_InvitroDB)";
      iceprop:assay_entrez_gene_id       <(NCBIGene)>                         .

    BAO:0000209    a puml:Inline; skos:prefLabel "has measure group".
  - >-
    <(Measure_Group)>
      OBI:0000299 <(HitcallEndpoint)> ; # (has specified output)
      RO:0000057  <(Chemical_Entity)> . # (has participant)

    <(HitcallEndpoint)>
      puml:up-tri    <(Endpoint)>  .
    <(HitcallEndpoint)>
      IAO:0000136   <(Chemical_Entity)>      ; # (is about)
      rdfs:label    "hitcall"                ;
      SIO:000300    "(HitcallResponse)"      . # (has value)

    OBI:0000299    a puml:Inline; skos:prefLabel "has specified output".
    RO:0000057     a puml:Inline; skos:prefLabel "has participant".
    SIO:000300     a puml:Inline; skos:prefLabel "has value".
    SIO:000221     a puml:Inline; skos:prefLabel "has unit".

prefixes:
  BAO:
    uri: http://www.bioassayontology.org/bao#BAO_
  CAS:
    uri: http://identifiers.org/cas/
  CHEMINF:
    uri: http://purl.obolibrary.org/obo/CHEMINF_
  SIO:
    uri: http://semanticscience.org/resource/SIO_
  OBI:
    uri: http://purl.obolibrary.org/obo/OBI_
  IAO:
    uri: http://purl.obolibrary.org/obo/IAO_
  RO:
    uri: http://purl.obolibrary.org/obo/RO_
  ExO:
    uri: http://purl.obolibrary.org/obo/ExO_
  EDAM:
    uri: http://edamontology.org/
  dce:
    uri: http://purl.org/dc/elements/1.1/
  dcterms:
    uri: http://purl.org/dc/terms/
  rdfs:
    uri: http://www.w3.org/2000/01/rdf-schema#
  skos:
    uri: http://www.w3.org/2004/02/skos/core#
  puml:
    uri: http://plantuml.com/ontology#
  ncim:
    uri: 'https://identifiers.org/umls:'
  iceprop:
    description: |
      Ad hoc.
    uri: https://ice.ntp.niehs.nih.gov/property/
  invitrodb:
    description: |
      Ad hoc.
    uri: https://comptox.epa.gov/property/
  ncbigene:
    uri: https://www.ncbi.nlm.nih.gov/gene/
  biolink:
    uri: https://w3id.org/biolink/vocab/

values:
  Chemical_Name: ~
  Critical_Effect: ~
  Response: ~
  Response_Unit: ~
  Route: ~
  MechanisticTarget_NCIm_Term_label: ~
  ICE_MOA: ~
  ICE_MT: ~
  AssaySource_InvitroDB: ~
  AssaySpecies_InvitroDB: ~
  AssayTissue_InvitroDB: ~
  AssayInvitroAssayFormat_InvitroDB: ~
  AssayID_InvitroDB: ~
  HitcallResponse: ~