| |
|
Topic |
Replies |
Views |
Last message |
 |
|
Generate tautomers |
2 |
2993 |
Thu, 27 October 2022 15:54
By: Christophe  |
|
|
 bar graph Murcko Skeleton and count
file size issue perhaps By: khom on Thu, 13 October 2022 |
2 |
3217 |
Wed, 19 October 2022 16:56
By: khom |
|
|
Feature Request
Additional Charting Options |
1 |
2065 |
Fri, 14 October 2022 19:33
By: thomas |
|
|
Jar file from Linux build
replacing the original datawarrior.jar file with the freshly built one By: nats on Tue, 11 October 2022 |
2 |
3759 |
Wed, 12 October 2022 01:37
By: nats |
|
|
update/recalculation of all computed array data By: nbehrnd on Tue, 13 September 2022 |
1 |
2418 |
Tue, 13 September 2022 22:02
By: thomas |
|
|
Macro for evolutionary library (EL) in Datwarrior (DW) By: Jo W on Tue, 09 August 2022 |
22 |
20274 |
Tue, 13 September 2022 21:45
By: thomas |
|
|
Find & Replace or alternative for stereoisomers By: Paul on Mon, 29 August 2022 |
2 |
3073 |
Wed, 31 August 2022 18:36
By: Paul |
|
|
Assign cluster name based on cluster size By: mcmc on Thu, 07 April 2022 |
4 |
5855 |
Fri, 05 August 2022 07:46
By: DrCJM |
|
|
Updating columns |
6 |
7223 |
Tue, 19 July 2022 05:43
By: sansun |
|
|
Medchem rules
one click option By: sansun on Sat, 16 July 2022 |
0 |
1792 |
Sat, 16 July 2022 14:17
By: sansun |
|
|
Row wise chemical reaction
Wish to combine Carboxylic acids in one column with AA in another, not combinatorially By: P_Fitz on Fri, 06 December 2019 |
12 |
18162 |
Thu, 14 July 2022 10:27
By: thomas |
|
|
Saving 2D-structure with labels |
10 |
13157 |
Sat, 02 July 2022 04:36
By: vijaymasand |
|
|
macro buildEvolutionaryLibrary from a mac terminal
macro buildEvolutionaryLibrary By: Bruno on Sat, 04 June 2022 |
5 |
6330 |
Sat, 25 June 2022 12:55
By: thomas |
|
|
Export Superimposed structures |
1 |
2588 |
Sun, 15 May 2022 17:08
By: thomas |
|
|
defining molecule clusters after similarity analysis By: Xenia on Mon, 07 March 2022 |
2 |
4009 |
Fri, 29 April 2022 18:09
By: Xenia |
|
|
search for conformers, empty column «minimization error» |
1 |
2696 |
Wed, 06 April 2022 11:56
By: thomas |
|
|
Comparing Structure Files
proble to use the "Find similar compound in other file" tool |
9 |
11876 |
Tue, 05 April 2022 16:47
By: thomas |
|
|
Video tutorial on using Datawarrior to undertake QSAR predictions
QSAR predictions in Datawarrior By: Jo W on Thu, 17 March 2022 |
3 |
5696 |
Mon, 04 April 2022 09:00
By: sansun |
|
|
Adjust font and size SALIplot |
1 |
3102 |
Sat, 02 April 2022 17:38
By: thomas |
|
|
what parameters shall be used to create t-SNE or PCA visualization in Data Warrior
parameters for t-SNE or PCA visualization |
1 |
3756 |
Sat, 02 April 2022 17:28
By: thomas |
|
|
Skelspheres descriptor
Skelspheres descriptor By: ECG93 on Fri, 04 March 2022 |
1 |
3434 |
Sat, 02 April 2022 17:15
By: thomas |
|
|
Chemistry in 3D
tutorials |
5 |
7537 |
Wed, 23 March 2022 12:45
By: Christophe |
|
|
How to perform general R group searches in DW
Substructure searches By: Jo W on Tue, 28 December 2021 |
4 |
7190 |
Thu, 17 March 2022 22:42
By: nbehrnd |
|
|
Functionality request: MPO score By: mvamos on Thu, 19 December 2019 |
7 |
17367 |
Thu, 17 March 2022 13:28
By: timritchie |
|
|
Opening a .csv file
Troubles to open .csv file |
2 |
4339 |
Mon, 07 March 2022 15:42
By: gdeutsch |
|
|
Became enamine database a sub-set of chemspace? |
1 |
3259 |
Sun, 06 March 2022 17:57
By: thomas |
|
 |
Enumeration of Libraries
More than fragments to be combined and enumerated By: frytz on Fri, 04 February 2022 |
1 |
3203 |
Thu, 10 February 2022 11:04
By: thomas |
|
|
Auto create and disable range filter when null values found By: nats on Tue, 08 February 2022 |
0 |
2245 |
Tue, 08 February 2022 06:28
By: nats |
|
|
C=C double bonds/search by extended stereochemistry By: nbehrnd on Tue, 30 November 2021 |
1 |
3416 |
Tue, 11 January 2022 16:12
By: thomas |
|
|
Printing Form View Window to PDF
Printing Forms to PDF By: Ringard on Thu, 23 December 2021 |
1 |
3088 |
Tue, 11 January 2022 15:45
By: thomas |
|
|
Embedded data By: GiangLe on Wed, 03 November 2021 |
3 |
6301 |
Fri, 05 November 2021 08:37
By: thomas |
|
|
Enumerating Combinatorial Libraries |
2 |
5448 |
Wed, 03 November 2021 10:11
By: thomas |
|
|
Graphs |
3 |
7295 |
Sat, 16 October 2021 17:51
By: thomas |
|
|
Move Row/Hide Row |
2 |
4995 |
Sat, 16 October 2021 17:27
By: thomas |
|
|
feature suggestion: .sdf export with explicit hydrogens By: nbehrnd on Tue, 07 September 2021 |
2 |
6848 |
Sat, 25 September 2021 18:01
By: nbehrnd |
|
|
2D Scatter Plot Axes |
2 |
6344 |
Fri, 24 September 2021 01:12
By: sbembenek18 |
|
|
Confirming Sali values generated in Datawarrior / Machine learning and multiple descriptors in DW
Sali Plots By: Jo W on Thu, 23 September 2021 |
1 |
4030 |
Thu, 23 September 2021 13:41
By: thomas |
|
|
similarity_search_protocol By: khom on Mon, 20 September 2021 |
1 |
3750 |
Thu, 23 September 2021 12:10
By: thomas |
|
|
multiple database queries
How to pull multiple datasets in where one can reference data from another By: nats on Wed, 15 September 2021 |
1 |
3521 |
Thu, 23 September 2021 11:44
By: thomas |
|
|
Box Plot - Statistics |
1 |
3206 |
Thu, 23 September 2021 10:46
By: thomas |
]
Search
Help
Members
Register
Login
Home