Commit 734624ce authored by David Mendez's avatar David Mendez
Browse files

Add querystring group to compound properties config

parent 30092797
...@@ -85,6 +85,17 @@ chembl_molecule: ...@@ -85,6 +85,17 @@ chembl_molecule:
default: ['molecule_chembl_id', 'biotherapeutic.biocomponents'] default: ['molecule_chembl_id', 'biotherapeutic.biocomponents']
sdf_data: sdf_data:
default: ['molecule_structures.molfile'] default: ['molecule_structures.molfile']
querystring:
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' ]
chembl_assay: chembl_assay:
download: download:
default: ['assay_chembl_id', 'assay_type', 'description', 'assay_organism', '_metadata.related_compounds.count', default: ['assay_chembl_id', 'assay_type', 'description', 'assay_organism', '_metadata.related_compounds.count',
......
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