111 |
Option for calculating the Cloud View based on either the scaffolds or the molecules |
any future version |
open |
|
2020-05-29
|
2020-05-29
|
|
|
5 |
|
110 |
Ertl algorithm for functional groups |
any future version |
open |
|
2018-07-26
|
2018-07-26
|
|
|
5 |
|
109 |
Combination of scaffolds and hierarchical clustering |
any future version |
open |
|
2018-07-12
|
2018-07-12
|
|
|
5 |
|
108 |
Show subset comments in Table |
any future version |
needs-review |
Philipp Mewes
|
2018-03-27
|
2018-05-25
|
|
|
5 |
|
107 |
Calc plugins |
any future version |
open |
|
2017-11-27
|
2018-02-02
|
|
|
4 |
|
105 |
Give molecule name when reporting „same SMILES already imported“ |
any future version |
open |
|
2017-01-19
|
2017-01-19
|
|
Import |
5 |
|
104 |
Set handling of charges |
any future version |
open |
|
2017-01-19
|
2017-01-24
|
|
|
5 |
|
103 |
Cloud View: Show molecules |
any future version |
open |
|
2016-12-02
|
2017-04-18
|
|
|
5 |
|
99 |
plot view: update to adjust to other views |
any future version |
open |
|
2016-09-23
|
2016-09-23
|
|
|
5 |
|
97 |
color gradient: options for distribution, e.g. logarithmic |
any future version |
open |
|
2016-09-23
|
2016-09-23
|
|
|
5 |
|
96 |
calculate properties: simple operations on imported properties |
any future version |
open |
|
2016-09-23
|
2016-09-23
|
|
|
5 |
|
95 |
plot view: calculate correlation correlation coefficient |
any future version |
open |
|
2016-09-23
|
2016-09-23
|
|
|
5 |
|
94 |
global filter like in the cloud view |
any future version |
open |
|
2016-09-23
|
2016-11-22
|
|
|
5 |
|
93 |
property mappings: modus as accumulation function |
any future version |
open |
|
2016-09-23
|
2016-09-23
|
|
|
5 |
|
92 |
scaffold tree view: show empty scaffold if there are molecules with no ring systems |
any future version |
open |
|
2016-09-07
|
2016-09-07
|
|
|
5 |
|
91 |
Dendrogram depict pseudo-ancestors for molecules |
any future version |
open |
|
2016-08-29
|
2016-08-29
|
|
|
5 |
|
90 |
Property Mappings: enable copying of color codes |
any future version |
open |
|
2016-08-29
|
2016-09-01
|
|
|
5 |
|
89 |
Heat map and table view: cluster-id as exportable property |
any future version |
open |
|
2016-08-29
|
2016-09-01
|
|
|
5 |
|
88 |
heat map csv export: sort according to view |
any future version |
open |
|
2016-08-29
|
2016-09-01
|
|
|
5 |
|
85 |
integrate CLI branch into master |
any future version |
open |
|
2016-08-08
|
2016-08-08
|
|
|
5 |
|
84 |
New rule to not split fused rings |
any future version |
open |
|
2016-08-03
|
2016-08-03
|
|
|
5 |
|
83 |
Image export for HeatMap |
any future version |
open |
|
2016-07-27
|
2017-01-24
|
|
Bug #248 |
5 |
|
82 |
Unified hierarchical classification |
any future version |
open |
Nils Kriege
|
2016-07-27
|
2016-08-11
|
|
|
5 |
|
80 |
dialog for (sub)set reduction before time consuming procedures |
any future version |
open |
|
2016-04-13
|
2016-04-13
|
|
|
5 |
|
78 |
transposing heat map |
any future version |
open |
|
2016-02-10
|
2016-02-11
|
|
|
5 |
|