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ChEMBL
EUbOPEN
EUbOPEN Web
Merge requests
!6
Add targets, compounds browser mockup and more sections to compound report card
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Merged
Add targets, compounds browser mockup and more sections to compound report card
staging
into
master
Overview
0
Commits
2
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1
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3
Merged
David Mendez
requested to merge
staging
into
master
3 years ago
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0
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2
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1
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3
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master
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latest version
latest version
b47a9110
2 commits,
3 years ago
3 files
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components/report_cards/chemical_probe/CalculatedProperties.vue
0 → 100644
+
141
−
0
Options
<
template
>
<v-card>
<v-card-text>
<v-row>
<v-col
cols=
"12"
md=
"6"
>
<v-list
dense
>
<template
v-for=
"item in properties1"
>
<v-list-item
:key=
"item.propLabel"
>
<v-list-item-content>
<v-list-item-title>
<div
class=
"d-flex justify-space-between"
>
<div>
<b>
{{
item
.
propLabel
}}
:
</b>
</div>
<div>
{{
item
.
propValue
}}
</div>
</div>
</v-list-item-title>
</v-list-item-content>
</v-list-item>
<v-divider
:key=
"`$
{item.propLabel}-divider`" />
</
template
>
</v-list>
</v-col>
<v-col
cols=
"12"
md=
"6"
>
<v-list
dense
>
<
template
v-for=
"item in properties2"
>
<v-list-item
:key=
"item.propLabel"
>
<v-list-item-content>
<v-list-item-title>
<div
class=
"d-flex justify-space-between"
>
<div>
<b>
{{
item
.
propLabel
}}
:
</b>
</div>
<div>
{{
item
.
propValue
}}
</div>
</div>
</v-list-item-title>
</v-list-item-content>
</v-list-item>
<v-divider
:key=
"`$
{item.propLabel}-divider`" />
</
template
>
</v-list>
</v-col>
</v-row>
</v-card-text>
</v-card>
</template>
<
script
>
export
default
{
data
()
{
return
{
properties1
:
[
{
propLabel
:
'
Mol. Weight
'
,
propValue
:
'
494.3
'
,
},
{
propLabel
:
'
MW. Monoisotopic
'
,
propValue
:
'
180.0423
'
,
},
{
propLabel
:
'
ALogP
'
,
propValue
:
'
1.31
'
,
},
{
propLabel
:
'
#Rotatable Bonds
'
,
propValue
:
'
2
'
,
},
{
propLabel
:
'
Polar Surface Area
'
,
propValue
:
'
63.60
'
,
},
{
propLabel
:
'
Molecular Species
'
,
propValue
:
'
ACID
'
,
},
{
propLabel
:
'
HBA
'
,
propValue
:
'
3
'
,
},
{
propLabel
:
'
HDB
'
,
propValue
:
'
1
'
,
},
{
propLabel
:
'
#Ro5 Violations
'
,
propValue
:
'
0
'
,
},
{
propLabel
:
'
HBA (Lipinski)
'
,
propValue
:
'
4
'
,
},
],
properties2
:
[
{
propLabel
:
'
HBD (Lipinski)
'
,
propValue
:
'
1
'
,
},
{
propLabel
:
'
#Ro5 Violations (Lipinski)
'
,
propValue
:
'
0
'
,
},
{
propLabel
:
'
CX Acidic pKa
'
,
propValue
:
'
3.41
'
,
},
{
propLabel
:
'
CX Basic pKa
'
,
propValue
:
'
--
'
,
},
{
propLabel
:
'
CX LogP
'
,
propValue
:
'
1.24
'
,
},
{
propLabel
:
'
CX LogD pH7.4
'
,
propValue
:
'
-2.16
'
,
},
{
propLabel
:
'
Aromatic Rings
'
,
propValue
:
'
1
'
,
},
{
propLabel
:
'
Heavy Atoms
'
,
propValue
:
'
13
'
,
},
{
propLabel
:
'
QED Weighted
'
,
propValue
:
'
0.55
'
,
},
],
}
},
}
</
script
>
<
style
></
style
>