chembl_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: 'Activities' 'molecule_properties.alogp': label: 'AlogP' label_mini: 'AlogP' 'molecule_properties.psa': label: 'Polar Surface Area' 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 Acidic pKa' 'molecule_properties.cx_most_bpka': label: 'CX Basic pKa' '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.mw_freebase': label: 'Molecular Weight' 'molecule_properties.full_molformula': label: 'Molecular Formula' 'molecule_structures.canonical_smiles': label: 'Smiles' 'molecule_structures.standard_inchi': label: 'Inchi' 'molecule_structures.standard_inchi_key': label: 'Inchi Key' '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_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_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 'target_synonyms': based_on: 'target_components' label: 'Synonyms' 'length': label: 'Length' label_mini: 'Length' type: 'double' aggregatable: false sortable: true chembl_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_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_tissue: 'bto_id': label: 'BTO ID' '_metadata.related_compounds.count': label: 'Compounds' '_metadata.related_activities.count': label: 'Activities' chembl_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_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_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' '_metadata.assay_data.assay_parameters': label: 'Assay Parameters' chembl_drug_warning_by_parent: 'drug_warning.parent_molecule_chembl_id': label: 'Parent Molecule ChEMBL ID' 'drug_warning.molecule_chembl_id': label: 'Molecule ChEMBL ID' 'drug_warning.warning_class': label: 'Warning Class' 'drug_warning.warning_type': label: 'Warning Type' 'drug_warning.warning_description': label: 'Description' 'drug_warning.where': label: 'Country/Year' 'drug_warning.where.country': label: 'Warning Country' 'drug_warning.where.year': label: 'Warning Year' 'drug_warning.warning_refs': label: 'References' 'drug_warning.warning_refs.ref_url': label: 'Reference URL' 'drug_warning.warning_refs.ref_type': label: 'Reference Type' 'drug_warning.warning_refs.ref_id': label: 'Reference ID' chembl_eubopen_molecule: 'pref_name': label: 'Name' 'molecule_synonyms.molecule_synonym': label: 'Synonym' 'molecule_synonyms': label: 'Synonyms' 'molecule_eubopen_id': label: 'EUbOPEN ID' chembl_eubopen_target: 'pref_name': label: 'Name' 'uniprot_synonyms': label: 'UniProt Synonyms' 'gene_symbol': label: 'Symbol' 'accession': label: 'UniProt Accession' 'other_synonyms': label: 'Other synonyms' 'target_synonyms': based_on: 'target_components' label: 'Synonyms'