Commit 9d24ea01 authored by David Mendez's avatar David Mendez
Browse files

Props config: tweak properties for browser pages

parent a6c13083
......@@ -301,3 +301,12 @@ chembl_eubopen_target:
default: [ 'target_eubopen_id', 'pref_name', 'target_synonyms', 'target_type', 'organism' ]
querystring:
default: [ 'target_eubopen_id', 'pref_name', 'target_synonyms', 'target_type', 'organism' ]
calculated_properties:
default: [ 'molecule_properties.mw_freebase', 'molecule_properties.mw_monoisotopic', 'molecule_properties.alogp',
'molecule_properties.rtb', 'molecule_properties.psa', 'molecule_properties.molecular_species',
'molecule_properties.hba', 'molecule_properties.hbd', 'molecule_properties.num_ro5_violations',
'molecule_properties.hba_lipinski', 'molecule_properties.hbd_lipinski',
'molecule_properties.num_lipinski_ro5_violations',
'molecule_properties.cx_most_apka', 'molecule_properties.cx_most_bpka', 'molecule_properties.cx_logp',
'molecule_properties.cx_logd', 'molecule_properties.aromatic_rings', 'molecule_properties.heavy_atoms',
'molecule_properties.qed_weighted' ]
......@@ -393,6 +393,56 @@ chembl_eubopen_molecule:
label: 'Synonyms'
'molecule_eubopen_id':
label: 'EUbOPEN ID'
'_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'
chembl_eubopen_target:
'target_eubopen_id':
label: 'EUbOPEN ID'
......@@ -409,5 +459,9 @@ chembl_eubopen_target:
'target_synonyms':
based_on: 'target_components'
label: 'Synonyms'
'molecule_properties.full_mwt':
label: 'Molecular Weight'
label_mini: 'Mol. Wt.'
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