Props config: tweak properties for browser pages

app/properties_configuration/config/groups.yml

@@ -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' ]

app/properties_configuration/config/override.yml

@@ -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.'
+