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9d24ea01
Commit
9d24ea01
authored
Oct 07, 2021
by
David Mendez
Browse files
Props config: tweak properties for browser pages
parent
a6c13083
Changes
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63 additions
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+63
-0
app/properties_configuration/config/groups.yml
app/properties_configuration/config/groups.yml
+9
-0
app/properties_configuration/config/override.yml
app/properties_configuration/config/override.yml
+54
-0
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app/properties_configuration/config/groups.yml
View file @
9d24ea01
...
...
@@ -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
View file @
9d24ea01
...
...
@@ -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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