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Commit 9165e966 authored by David Mendez's avatar David Mendez
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Start to add configuration manager

parent 31f391f0
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app/properties_configuration/config/groups.yml 0 → 100644
View file @ 9165e966
chembl_26_molecule:
download:
default: ['molecule_chembl_id', 'pref_name', 'molecule_synonyms', 'molecule_type', 'max_phase',
'molecule_properties.full_mwt', '_metadata.related_targets.count', '_metadata.related_activities.count',
'molecule_properties.alogp', 'molecule_properties.psa', 'molecule_properties.hba', 'molecule_properties.hbd',
'molecule_properties.num_ro5_violations', 'molecule_properties.rtb', 'molecule_properties.ro3_pass',
'molecule_properties.qed_weighted', 'molecule_properties.cx_most_apka', 'molecule_properties.cx_most_bpka',
'molecule_properties.cx_logp', 'molecule_properties.cx_logd', 'molecule_properties.aromatic_rings',
'structure_type', 'inorganic_flag', 'molecule_properties.heavy_atoms', 'molecule_properties.hba_lipinski',
'molecule_properties.hbd_lipinski', 'molecule_properties.num_lipinski_ro5_violations',
'molecule_properties.mw_monoisotopic', 'molecule_properties.molecular_species',
'molecule_properties.full_molformula', 'molecule_structures.canonical_smiles']
browser_table:
default: ['molecule_chembl_id', 'pref_name', 'molecule_synonyms', 'molecule_type', 'max_phase',
'molecule_properties.full_mwt', '_metadata.related_targets.count', '_metadata.related_activities.count',
'molecule_properties.alogp', 'molecule_properties.psa', 'molecule_properties.hba', 'molecule_properties.hbd',
'molecule_properties.num_ro5_violations', 'molecule_properties.rtb', 'molecule_properties.ro3_pass',
'molecule_properties.qed_weighted']
optional: ['molecule_properties.cx_most_apka', 'molecule_properties.cx_most_bpka', 'molecule_properties.cx_logp',
'molecule_properties.cx_logd', 'molecule_properties.aromatic_rings', 'structure_type', 'inorganic_flag',
'molecule_properties.heavy_atoms', 'molecule_properties.hba_lipinski', 'molecule_properties.hbd_lipinski',
'molecule_properties.num_lipinski_ro5_violations', 'molecule_properties.mw_monoisotopic',
'molecule_properties.molecular_species', 'molecule_properties.full_molformula',
'molecule_structures.canonical_smiles']
browser_cards:
default: ['molecule_chembl_id', 'pref_name']
alternate_forms_carousel:
default: ['molecule_chembl_id']
download_drugs:
default: ['drug_parent_molecule_chembl_id', 'molecule_synonyms', 'research_codes', 'drug_phase',
'_metadata.drug.drug_data.applicants', 'usan_stem', 'usan_year', 'usan_stem_definition',
'_metadata.drug.drug_data.usan_stem_substem', 'first_approval', 'drug_atc_codes', 'drug_atc_codes_level_4',
'drug_atc_codes_level_3', 'drug_atc_codes_level_2', 'drug_atc_codes_level_1',
'indication_class', '_metadata.drug.drug_data.sc_patent', '_metadata.drug.drug_data.drug_type',
'_metadata.drug.drug_data.rule_of_five', '_metadata.drug.drug_data.first_in_class',
'_metadata.compound_generated.chirality_label', '_metadata.drug.drug_data.prodrug',
'_metadata.drug.drug_data.oral', '_metadata.drug.drug_data.parenteral', '_metadata.drug.drug_data.topical',
'_metadata.drug.drug_data.black_box', '_metadata.compound_generated.availability_type_label',
'_metadata.drug.drug_data.withdrawn_year', '_metadata.drug.drug_data.withdrawn_reason',
'_metadata.drug.drug_data.withdrawn_country', '_metadata.drug.drug_data.withdrawn_class',
'molecule_structures.canonical_smiles']
browser_cards_drugs:
default: ['drug_parent_molecule_chembl_id', 'molecule_synonyms', 'research_codes', 'drug_phase']
browser_table_drugs:
default: ['drug_parent_molecule_chembl_id', 'molecule_synonyms', 'research_codes', 'drug_phase',
'_metadata.drug.drug_data.applicants', 'usan_stem', 'usan_year', 'first_approval', 'drug_atc_codes', 'drug_icon']
optional: ['usan_stem_definition', '_metadata.drug.drug_data.usan_stem_substem', 'drug_atc_codes_level_4',
'drug_atc_codes_level_3', 'drug_atc_codes_level_2', 'drug_atc_codes_level_1', 'indication_class',
'_metadata.drug.drug_data.sc_patent', 'withdrawn_year', 'withdrawn_reason', 'withdrawn_country',
'withdrawn_class', 'molecule_structures.canonical_smiles']
download_similarity:
default: ['similarity', 'molecule_chembl_id', 'pref_name', 'molecule_synonyms', 'molecule_type', 'max_phase',
'molecule_properties.full_mwt', '_metadata.related_targets.count', '_metadata.related_activities.count',
'molecule_properties.alogp', 'molecule_properties.psa', 'molecule_properties.hba', 'molecule_properties.hbd',
'molecule_properties.num_ro5_violations', 'molecule_properties.rtb', 'molecule_properties.ro3_pass',
'molecule_properties.qed_weighted', 'molecule_properties.cx_most_apka', 'molecule_properties.cx_most_bpka',
'molecule_properties.cx_logp', 'molecule_properties.cx_logd', 'molecule_properties.aromatic_rings',
'structure_type', 'inorganic_flag', 'molecule_properties.heavy_atoms', 'molecule_properties.hba_lipinski',
'molecule_properties.hbd_lipinski', 'molecule_properties.num_lipinski_ro5_violations',
'molecule_properties.mw_monoisotopic', 'molecule_properties.molecular_species',
'molecule_properties.full_molformula', 'molecule_structures.canonical_smiles']
browser_cards_similarity:
default: ['molecule_chembl_id', 'pref_name', 'similarity']
browser_table_similarity:
default: ['similarity', 'molecule_chembl_id', 'pref_name', 'molecule_synonyms', 'molecule_type', 'max_phase',
'molecule_properties.full_mwt', '_metadata.related_targets.count', '_metadata.related_activities.count',
'molecule_properties.alogp', 'molecule_properties.psa', 'molecule_properties.hba', 'molecule_properties.hbd',
'molecule_properties.num_ro5_violations', 'molecule_properties.rtb', 'molecule_properties.ro3_pass',
'molecule_properties.qed_weighted']
optional: ['molecule_properties.cx_most_apka', 'molecule_properties.cx_most_bpka', 'molecule_properties.cx_logp',
'molecule_properties.cx_logd', 'molecule_properties.aromatic_rings', 'structure_type', 'inorganic_flag',
'molecule_properties.heavy_atoms', 'molecule_properties.hba_lipinski', 'molecule_properties.hbd_lipinski',
'molecule_properties.num_lipinski_ro5_violations', 'molecule_properties.mw_monoisotopic',
'molecule_properties.molecular_species', 'molecule_properties.full_molformula',
'molecule_structures.canonical_smiles']
compound_sources:
default: ['sources_list', 'additional_sources_list']
withdrawal_info:
default: ['withdrawn_year', 'withdrawn_reason', 'withdrawn_country', 'withdrawn_class']
clinical_data:
default: ['clinical_trials_terms', 'chochrane_terms']
helm_notation:
default: ['helm_notation']
biocomponents:
default: ['molecule_chembl_id', 'biotherapeutic.biocomponents']
chembl_26_assay:
download:
default: ['assay_chembl_id', 'assay_type', 'description', 'assay_organism', '_metadata.related_compounds.count',
'_metadata.related_activities.count', 'bao_format', 'bao_label', 'confidence_score',
'_metadata.assay_generated.confidence_label','assay_strain', '_metadata.source.src_description',
'assay_tax_id', 'assay_type', 'tissue_chembl_id', 'assay_tissue', 'assay_cell_type', 'assay_subcellular_fraction',
'document_chembl_id', '_metadata.document_data.pubmed_id', '_metadata.document_data.doi',
'_metadata.document_data.year', '_metadata.document_data.journal', '_metadata.document_data.volume',
'_metadata.document_data.first_page','_metadata.document_data.last_page', 'assay_parameters',
'assay_classifications_level1', 'assay_classifications_level2', 'assay_classifications_level3']
browser_table:
default: ['assay_chembl_id', 'assay_type', 'description', 'assay_organism', '_metadata.related_compounds.count',
'document_chembl_id', 'bao_label', '_metadata.source.src_description']
optional: ['_metadata.related_activities.count', 'bao_format', 'confidence_score',
'_metadata.assay_generated.confidence_label', 'assay_strain', 'assay_tax_id', 'assay_type', 'tissue_chembl_id',
'assay_tissue', 'assay_cell_type', 'assay_subcellular_fraction', '_metadata.document_data.pubmed_id',
'_metadata.document_data.doi', '_metadata.document_data.year', '_metadata.document_data.journal',
'_metadata.document_data.volume', '_metadata.document_data.first_page','_metadata.document_data.last_page',
'assay_parameters', 'assay_classifications_level1', 'assay_classifications_level2', 'assay_classifications_level3']
assay_parameters:
default: ['assay_parameters_report_card_rows']
chembl_26_target:
download:
default: ['target_chembl_id', 'pref_name', 'uniprot_accessions', 'target_type', 'organism',
'_metadata.related_compounds.count', '_metadata.related_activities.count', 'tax_id', 'species_group_flag']
download_blast:
default: ['best_expectation', 'best_positives', 'best_identities', 'best_score_bits', 'best_score', 'length',
'target_chembl_id', 'pref_name', 'uniprot_accessions', 'target_type', 'organism',
'_metadata.related_compounds.count', '_metadata.related_activities.count', 'tax_id', 'species_group_flag']
browser_table:
default: [ 'target_chembl_id', 'pref_name', 'uniprot_accessions', 'target_type', 'organism',
'_metadata.related_compounds.count', '_metadata.related_activities.count']
optional: ['tax_id', 'species_group_flag']
browser_table_blast:
default: ['best_expectation', 'best_positives', 'best_identities', 'best_score_bits', 'best_score', 'length',
'target_chembl_id', 'pref_name', 'uniprot_accessions', 'target_type', 'organism',
'_metadata.related_compounds.count', '_metadata.related_activities.count']
optional: ['tax_id', 'species_group_flag']
chembl_26_document:
download:
default: ['document_chembl_id', 'journal_full_title', 'src_id', '_metadata.source', 'title', 'pubmed_id', 'doi',
'patent_id', 'authors', 'year', 'volume', 'issue', 'first_page', 'last_page', 'doc_type', 'abstract',
'_metadata.related_compounds.count', '_metadata.related_targets.count', '_metadata.related_activities.count']
browser_table:
default: ['document_chembl_id', 'journal_full_title', '_metadata.source', 'title', 'pubmed_id', 'doi', 'patent_id',
'authors', 'year', 'volume', 'issue', 'first_page', 'last_page', '_metadata.related_activities.count']
optional: ['src_id', 'abstract', '_metadata.related_compounds.count', '_metadata.related_targets.count']
chembl_26_cell_line:
download:
default: ['cell_chembl_id', 'cell_name', 'cell_description', 'cell_source_organism', 'cell_source_tissue',
'cell_source_tax_id', 'clo_id', 'efo_id', 'cellosaurus_id', 'cl_lincs_id', '_metadata.related_compounds.count',
'_metadata.related_activities.count']
browser_table:
default: ['cell_chembl_id', 'cell_name', 'cell_description', 'cell_source_organism', 'cell_source_tissue',
'_metadata.related_activities.count']
optional: ['cell_source_tax_id', 'clo_id', 'efo_id', 'cellosaurus_id', 'cl_lincs_id',
'_metadata.related_compounds.count']
chembl_26_tissue:
download:
default: ['tissue_chembl_id', 'pref_name', 'uberon_id', 'efo_id', 'bto_id', 'caloha_id',
'_metadata.related_compounds.count', '_metadata.related_activities.count']
browser_table:
default: ['tissue_chembl_id', 'pref_name', 'uberon_id', 'efo_id', '_metadata.related_activities.count']
optional: ['bto_id', 'caloha_id', '_metadata.related_compounds.count']
chembl_26_drug_indication_by_parent:
download:
default: ['parent_molecule.molecule_chembl_id', 'parent_molecule.pref_name', 'parent_molecule.molecule_type',
'drug_indication.max_phase_for_ind', 'parent_molecule.first_approval', 'drug_indication.mesh_id',
'drug_indication.mesh_heading', 'efo_ids', 'efo_terms', 'drug_indication.indication_refs',
'parent_molecule._metadata.drug.drug_data.synonyms', 'parent_molecule._metadata.drug.drug_data.usan_stem',
'parent_molecule._metadata.drug.drug_data.usan_year']
browser_table:
default: ['parent_molecule.molecule_chembl_id', 'parent_molecule.pref_name', 'parent_molecule.molecule_type',
'drug_indication.max_phase_for_ind', 'parent_molecule.first_approval', 'drug_indication.mesh_id',
'drug_indication.mesh_heading', 'efo_ids', 'efo_terms', 'drug_indication.indication_refs']
optional: ['parent_molecule._metadata.drug.drug_data.synonyms',
'parent_molecule._metadata.drug.drug_data.usan_stem', 'parent_molecule._metadata.drug.drug_data.usan_year']
report_card_table:
default: ['drug_indication.mesh_id', 'drug_indication.mesh_heading', 'efo_ids', 'efo_terms',
'drug_indication.max_phase_for_ind', 'parent_molecule.first_approval', 'drug_indication.indication_refs']
chembl_26_mechanism_by_parent_target:
download:
default: ['parent_molecule.molecule_chembl_id', 'parent_molecule.pref_name', 'parent_molecule.molecule_type',
'mechanism_of_action.max_phase', 'parent_molecule.first_approval', 'parent_molecule.usan_stem',
'parent_molecule.molecule_structures.canonical_smiles', 'mechanism_of_action.mechanism_of_action',
'mechanism_of_action.mechanism_comment', 'mechanism_of_action.selectivity_comment', 'target.target_chembl_id',
'target.pref_name', 'mechanism_of_action.action_type', 'target.target_type', 'target.organism',
'binding_site.site_name', 'mechanism_of_action.binding_site_comment', 'mechanism_of_action.mechanism_refs',
'parent_molecule._metadata.drug.drug_data.synonyms', 'drug_atc_codes', 'drug_atc_codes_level_4',
'drug_atc_codes_level_3', 'drug_atc_codes_level_2', 'drug_atc_codes_level_1', 'parent_molecule.molecule_chembl_id']
browser_table:
default: ['parent_molecule.molecule_chembl_id', 'parent_molecule.pref_name', 'parent_molecule.molecule_type',
'mechanism_of_action.max_phase', 'parent_molecule.first_approval', 'parent_molecule.usan_stem',
'target.target_chembl_id', 'target.pref_name', 'mechanism_of_action.action_type', 'target.target_type',
'target.organism', 'binding_site.site_name', 'mechanism_of_action.mechanism_refs']
optional: ['mechanism_of_action.mechanism_comment', 'mechanism_of_action.selectivity_comment',
'mechanism_of_action.binding_site_comment', 'parent_molecule._metadata.drug.drug_data.synonyms',
'drug_atc_codes', 'drug_atc_codes_level_4', 'drug_atc_codes_level_3', 'drug_atc_codes_level_2',
'drug_atc_codes_level_1']
report_card_table:
default: ['mechanism_of_action.action_type', 'target.target_chembl_id', 'target.pref_name', 'target.target_type',
'target.organism', 'binding_site.site_name', 'mechanism_of_action.mechanism_refs']
target_report_card_table:
default: ['parent_molecule.molecule_chembl_id', 'parent_molecule.pref_name', 'parent_molecule.molecule_type',
'mechanism_of_action.max_phase', 'parent_molecule.first_approval', 'parent_molecule.usan_stem',
'mechanism_of_action.mechanism_refs']
chembl_26_activity:
download:
default: ['molecule_chembl_id', 'molecule_pref_name', '_metadata.parent_molecule_data.max_phase',
'_metadata.parent_molecule_data.full_mwt', '_metadata.parent_molecule_data.num_ro5_violations',
'_metadata.parent_molecule_data.alogp', '_metadata.parent_molecule_data.compound_key', 'canonical_smiles',
'standard_type', 'standard_relation', 'standard_value', 'standard_units', 'pchembl_value', 'data_validity_comment',
'activity_comment', 'uo_units', 'ligand_efficiency.bei', 'ligand_efficiency.le', 'ligand_efficiency.lle',
'ligand_efficiency.sei', 'potential_duplicate', 'assay_chembl_id', 'assay_description',
'assay_type', 'bao_format', 'bao_label', '_metadata.assay_data.assay_organism',
'_metadata.assay_data.tissue_chembl_id', '_metadata.assay_data.assay_tissue',
'_metadata.assay_data.assay_cell_type', '_metadata.assay_data.assay_subcellular_fraction', 'target_chembl_id',
'target_pref_name', 'target_organism', '_metadata.target_data.target_type', 'document_chembl_id', 'src_id',
'_metadata.source.src_description', 'document_journal', 'document_year', '_metadata.assay_data.cell_chembl_id']
browser_table:
default: ['molecule_chembl_id', '_metadata.parent_molecule_data.compound_key', 'standard_type', 'standard_relation',
'standard_value', 'standard_units', 'pchembl_value', 'activity_comment', 'assay_chembl_id', 'assay_description',
'bao_label', '_metadata.assay_data.assay_organism', 'target_chembl_id', 'target_pref_name', 'target_organism',
'_metadata.target_data.target_type', 'document_chembl_id', '_metadata.source.src_description',
'_metadata.assay_data.cell_chembl_id']
optional: ['molecule_pref_name', '_metadata.parent_molecule_data.max_phase',
'_metadata.parent_molecule_data.full_mwt', '_metadata.parent_molecule_data.num_ro5_violations',
'_metadata.parent_molecule_data.alogp', 'canonical_smiles', 'data_validity_comment', 'uo_units',
'ligand_efficiency.bei', 'ligand_efficiency.le', 'ligand_efficiency.lle', 'ligand_efficiency.sei',
'potential_duplicate', 'assay_type', 'bao_format', '_metadata.assay_data.tissue_chembl_id',
'_metadata.assay_data.assay_tissue', '_metadata.assay_data.assay_cell_type',
'_metadata.assay_data.assay_subcellular_fraction', 'src_id', 'document_journal', 'document_year']
app/properties_configuration/config/override.yml 0 → 100644
View file @ 9165e966
chembl_26_molecule:
'molecule_properties.full_mwt':
label: 'Molecular Weight'
label_mini: 'Mol. Wt.'
'_metadata.related_targets.count':
label: 'Targets'
label_mini: 'Targets'
'_metadata.related_activities.count':
label: 'Bioactivities'
label_mini: 'Compounds'
'molecule_properties.alogp':
label: 'AlogP'
label_mini: 'AlogP'
'molecule_properties.psa':
label: 'PSA'
label_mini: 'PSA'
'molecule_properties.hba':
label: 'HBA'
label_mini: 'HBA'
'molecule_properties.hbd':
label: 'HBD'
label_mini: 'HBD'
'molecule_properties.num_ro5_violations':
label: '#RO5 Violations'
'molecule_properties.rtb':
label: '#Rotatable Bonds'
'molecule_properties.ro3_pass':
label: 'Passes Ro3'
'molecule_properties.qed_weighted':
label: 'QED Weighted'
'molecule_properties.cx_most_apka':
label: 'CX ApKa'
'molecule_properties.cx_most_bpka':
label: 'CX BpKa'
'molecule_properties.cx_logp':
label: 'CX LogP'
'molecule_properties.cx_logd':
label: 'CX LogD'
'molecule_properties.aromatic_rings':
label: 'Aromatic Rings'
'structure_type':
label: 'Structure Type'
'molecule_properties.hba_lipinski':
label: 'HBA Lipinski'
'molecule_properties.hbd_lipinski':
label: 'HBD Lipinski'
'molecule_properties.num_lipinski_ro5_violations':
label: '#RO5 Violations (Lipinski)'
'molecule_properties.mw_monoisotopic':
label: 'Molecular Weight (Monoisotopic)'
'molecule_properties.full_molformula':
label: 'Molecular Formula'
'molecule_structures.canonical_smiles':
label: 'Smiles'
'drug_parent_molecule_chembl_id':
based_on: 'molecule_chembl_id'
label: 'Parent Molecule'
'drug_icon':
based_on: 'molecule_chembl_id'
label: 'Icon'
type: 'double'
aggregatable: false
sortable: true
'research_codes':
based_on: 'molecule_synonyms'
label: 'Research Codes'
label_mini: 'Research Codes'
'drug_phase':
based_on: 'max_phase'
label: 'Phase'
'_metadata.drug.drug_data.sc_patent':
label: 'Patent'
'_metadata.drug.drug_data.rule_of_five':
label: 'Passes Rule of Five'
'_metadata.compound_generated.chirality_label':
label: 'Chirality'
'_metadata.compound_generated.availability_type_label':
label: 'Availability Type'
'similarity':
label: 'Similarity'
label_mini: 'Similarity'
type: 'double'
aggregatable: false
sortable: true
'drug_atc_codes':
based_on: '_metadata.atc_classifications'
label: 'ATC Codes'
'drug_atc_codes_level_4':
based_on: '_metadata.atc_classifications'
label: 'Level 4 ATC Codes'
'drug_atc_codes_level_3':
based_on: '_metadata.atc_classifications'
label: 'Level 3 ATC Codes'
'drug_atc_codes_level_2':
based_on: '_metadata.atc_classifications'
label: 'Level 2 ATC Codes'
'drug_atc_codes_level_1':
based_on: '_metadata.atc_classifications'
label: 'Level 1 ATC Codes'
'sources_list':
label: 'Compound Sources'
based_on: '_metadata.compound_records'
'additional_sources_list':
based_on: '_metadata.compound_records'
'clinical_trials_terms':
based_on: 'molecule_synonyms'
'chochrane_terms':
base_on: 'pref_name'
type: 'string'
aggregatable: false
sortable: true
chembl_26_assay:
'_metadata.related_compounds.count':
label: 'Compounds'
label_mini: 'Compounds'
'_metadata.related_activities.count':
label: 'Activities'
label_mini: 'Activities'
'bao_format':
label: 'BAO Format ID'
'bao_label':
label: 'BAO Format'
'_metadata.source.src_description':
label: 'Source'
'assay_tax_id':
label: 'Tax ID'
'assay_type':
label: 'Assay Type'
'assay_tissue':
label: 'Tissue Name'
'_metadata.document_data.pubmed_id':
label: 'PubMed ID'
'_metadata.document_data.doi':
label: 'DOI'
'_metadata.document_data.journal':
label: 'Journal'
'_metadata.document_data.year':
label: 'Year'
'_metadata.document_data.volume':
label: 'Volume'
'_metadata.document_data.first_page':
label: 'First Page'
'_metadata.document_data.last_page':
label: 'Last Page'
'assay_parameters':
label: 'Assay Parameters'
'assay_parameters_report_card_rows':
based_on: 'assay_parameters'
'assay_classifications_level1':
based_on: 'assay_classifications'
label: 'Assay Classification L1'
'assay_classifications_level2':
based_on: 'assay_classifications'
label: 'Assay Classification L2'
'assay_classifications_level3':
based_on: 'assay_classifications'
label: 'Assay Classification L3'
chembl_26_target:
'pref_name':
label: 'Name'
'uniprot_accessions':
based_on: 'target_components'
label: 'UniProt Accessions'
'_metadata.related_compounds.count':
label: 'Compounds'
'_metadata.related_activities.count':
label: 'Activities'
'tax_id':
label: 'Tax ID'
'best_expectation':
label: 'E-Value'
label_mini: 'E-Value'
type: 'double'
aggregatable: false
sortable: true
'best_positives':
label: 'Positives %'
label_mini: 'Positives %'
type: 'double'
aggregatable: false
sortable: true
'best_identities':
label: 'Identities %'
label_mini: 'Identities %'
type: 'double'
aggregatable: false
sortable: true
'best_score_bits':
label: 'Score (bits)'
label_mini: 'Score (bits)'
type: 'double'
aggregatable: false
sortable: true
'best_score':
label: 'Score'
label_mini: 'Score'
type: 'double'
aggregatable: false
sortable: true
'length':
label: 'Length'
label_mini: 'Length'
type: 'double'
aggregatable: false
sortable: true
chembl_26_document:
'journal_full_title':
label: 'Journal'
'src_id':
label: 'Source ID'
'_metadata.source':
label: 'Source Description'
'pubmed_id':
label: 'PubMed ID'
'doi':
label: 'DOI'
'patent_id':
label: 'Patent ID'
'volume':
label: 'Volume'
'issue':
label: 'Issue'
'first_page':
label: 'First Page'
'doc_type':
label: 'Document Type'
'_metadata.related_compounds.count':
label: 'Compounds'
'_metadata.related_targets.count':
label: 'Targets'
'_metadata.related_activities.count':
label: 'Activities'
chembl_26_cell_line:
'clo_id':
label: 'CLO ID'
'cl_lincs_id':
label: 'LINKS ID'
'_metadata.related_compounds.count':
label: 'Compounds'
'_metadata.related_activities.count':
label: 'Activities'
chembl_26_tissue:
'bto_id':
label: 'BTO ID'
'_metadata.related_compounds.count':
label: 'Compounds'
'_metadata.related_activities.count':
label: 'Activities'
chembl_26_drug_indication_by_parent:
'drug_indication.max_phase_for_ind':
label: 'Max Phase for Indication'
'parent_molecule.first_approval':
label: 'First Approval'
'drug_indication.mesh_id':
label: 'MESH ID'
'drug_indication.mesh_heading':
label: 'MESH Heading'
'efo_ids':
based_on: 'drug_indication.efo'
label: 'EFO IDs'
'efo_terms':
based_on: 'drug_indication.efo'
label: 'EFO Terms'
'drug_indication.indication_refs':
label: 'References'
'parent_molecule._metadata.drug.drug_data.synonyms':
label: 'Synonyms'
chembl_26_mechanism_by_parent_target:
'mechanism_of_action.max_phase':
label: 'Max Phase'
'parent_molecule.first_approval':
label: 'First Approval'
'parent_molecule.usan_stem':
label: 'USAN Stem'
'mechanism_of_action.mechanism_of_action':
label: 'Mechanism of Action'
'mechanism_of_action.mechanism_comment':
label: 'Mechanism Comment'
'mechanism_of_action.selectivity_comment':
label: 'Selectivity Comment'
'mechanism_of_action.action_type':
label: 'Action Type'
'mechanism_of_action.mechanism_refs':
label: 'References'
'parent_molecule._metadata.drug.drug_data.synonyms':
label: 'Synonyms'
'parent_molecule._metadata.atc_classifications':
label: 'ATC Classifications'
'mechanism_of_action.binding_site_comment':
label: 'Binding Site Comment'
'parent_molecule.molecule_structures.canonical_smiles':
label: 'Smiles'
'drug_atc_codes':
based_on: 'parent_molecule._metadata.atc_classifications'
label: 'ATC Codes'
'drug_atc_codes_level_4':
based_on: 'parent_molecule._metadata.atc_classifications'
label: 'Level 4 ATC Codes'
'drug_atc_codes_level_3':
based_on: 'parent_molecule._metadata.atc_classifications'
label: 'Level 3 ATC Codes'
'drug_atc_codes_level_2':
based_on: 'parent_molecule._metadata.atc_classifications'
label: 'Level 2 ATC Codes'
'drug_atc_codes_level_1':
based_on: 'parent_molecule._metadata.atc_classifications'
label: 'Level 1 ATC Codes'
chembl_26_activity:
'_metadata.parent_molecule_data.max_phase':
label: 'Molecule Max Phase'
'_metadata.parent_molecule_data.full_mwt':
label: 'Molecular Weight'
'_metadata.parent_molecule_data.num_ro5_violations':
label: '#RO5 Violations'
'_metadata.parent_molecule_data.alogp':
label: 'AlogP'
'_metadata.parent_molecule_data.compound_key':
label: 'Compound Key'
'canonical_smiles':
label: 'Smiles'
'pchembl_value':
label: 'pChEMBL Value'
'ligand_efficiency.bei':
label: 'Ligand Efficiency BEI'
'ligand_efficiency.sei':
label: 'Ligand Efficiency SEI'
'ligand_efficiency.le':
label: 'Ligand Efficiency LE'
'ligand_efficiency.lle':
label: 'Ligand Efficiency LLE'
'bao_format':
label: 'BAO Format ID'
'_metadata.assay_data.assay_organism':
label: 'Assay Organism'
'_metadata.assay_data.tissue_chembl_id':
label: 'Assay Tissue ChEMBL ID'
'_metadata.assay_data.assay_tissue':
label: 'Assay Tissue Name'
'_metadata.assay_data.assay_cell_type':
label: 'Assay Cell Type'
'_metadata.assay_data.assay_subcellular_fraction':
label: 'Assay Subcellular Fraction'
'_metadata.target_data.target_type':
label: 'Target Type'
'_metadata.source.src_description':
label: 'Source Description'
'src_id':
label: 'Source ID'
'_metadata.assay_data.cell_chembl_id':
label: 'Cell ChEMBL ID'