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Topic |
Replies |
Views |
Last message |
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DW as a KNIME Plugin
KNIME |
4 |
7100 |
Fri, 03 February 2023 15:03
By: wsmts  |
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Copy and Paste 3D Pose |
9 |
10182 |
Thu, 02 February 2023 23:26
By: sbembenek18 |
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Copy Images and Statistical value
Bug or Alzheimer By: alienke on Thu, 02 February 2023 |
1 |
2519 |
Thu, 02 February 2023 23:04
By: nbehrnd |
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 How to add the "Structure of smile similarity" score to the colume By: Shane on Mon, 30 January 2023 |
2 |
3528 |
Tue, 31 January 2023 03:53
By: Shane |
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maximum number of bins/categories for bar charts By: chemtv on Sat, 07 January 2023 |
3 |
5473 |
Thu, 19 January 2023 22:51
By: nbehrnd |
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ChemAxon plugin
Activation of ChemAxon into DW |
14 |
20641 |
Thu, 01 December 2022 20:06
By: thomas |
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Nasty functions
relation to PAINS? By: sansun on Mon, 21 November 2022 |
1 |
5191 |
Mon, 21 November 2022 10:43
By: thomas |
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Generate tautomers |
2 |
3626 |
Thu, 27 October 2022 15:54
By: Christophe |
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bar graph Murcko Skeleton and count
file size issue perhaps By: khom on Thu, 13 October 2022 |
2 |
3826 |
Wed, 19 October 2022 16:56
By: khom |
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Feature Request
Additional Charting Options |
1 |
2500 |
Fri, 14 October 2022 19:33
By: thomas |
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Jar file from Linux build
replacing the original datawarrior.jar file with the freshly built one By: nats on Tue, 11 October 2022 |
2 |
4574 |
Wed, 12 October 2022 01:37
By: nats |
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update/recalculation of all computed array data By: nbehrnd on Tue, 13 September 2022 |
1 |
2878 |
Tue, 13 September 2022 22:02
By: thomas |
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Macro for evolutionary library (EL) in Datwarrior (DW) By: Jo W on Tue, 09 August 2022 |
22 |
24624 |
Tue, 13 September 2022 21:45
By: thomas |
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Find & Replace or alternative for stereoisomers By: Paul on Mon, 29 August 2022 |
2 |
3826 |
Wed, 31 August 2022 18:36
By: Paul |
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Assign cluster name based on cluster size By: mcmc on Thu, 07 April 2022 |
4 |
9645 |
Fri, 05 August 2022 07:46
By: DrCJM |
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Updating columns |
6 |
8531 |
Tue, 19 July 2022 05:43
By: sansun |
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Medchem rules
one click option By: sansun on Sat, 16 July 2022 |
0 |
2088 |
Sat, 16 July 2022 14:17
By: sansun |
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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 |
20556 |
Thu, 14 July 2022 10:27
By: thomas |
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Saving 2D-structure with labels |
10 |
15655 |
Sat, 02 July 2022 04:36
By: vijaymasand |
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macro buildEvolutionaryLibrary from a mac terminal
macro buildEvolutionaryLibrary By: Bruno on Sat, 04 June 2022 |
5 |
7628 |
Sat, 25 June 2022 12:55
By: thomas |
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Export Superimposed structures |
1 |
3067 |
Sun, 15 May 2022 17:08
By: thomas |
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defining molecule clusters after similarity analysis By: Xenia on Mon, 07 March 2022 |
2 |
4667 |
Fri, 29 April 2022 18:09
By: Xenia |
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search for conformers, empty column «minimization error» |
1 |
3224 |
Wed, 06 April 2022 11:56
By: thomas |
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Comparing Structure Files
proble to use the "Find similar compound in other file" tool |
9 |
13942 |
Tue, 05 April 2022 16:47
By: thomas |
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Video tutorial on using Datawarrior to undertake QSAR predictions
QSAR predictions in Datawarrior By: Jo W on Thu, 17 March 2022 |
3 |
6838 |
Mon, 04 April 2022 09:00
By: sansun |
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Adjust font and size SALIplot |
1 |
3593 |
Sat, 02 April 2022 17:38
By: thomas |
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what parameters shall be used to create t-SNE or PCA visualization in Data Warrior
parameters for t-SNE or PCA visualization |
1 |
4337 |
Sat, 02 April 2022 17:28
By: thomas |
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Skelspheres descriptor
Skelspheres descriptor By: ECG93 on Fri, 04 March 2022 |
1 |
3972 |
Sat, 02 April 2022 17:15
By: thomas |
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Chemistry in 3D
tutorials |
5 |
8755 |
Wed, 23 March 2022 12:45
By: Christophe |
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How to perform general R group searches in DW
Substructure searches By: Jo W on Tue, 28 December 2021 |
4 |
8234 |
Thu, 17 March 2022 22:42
By: nbehrnd |
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Functionality request: MPO score By: mvamos on Thu, 19 December 2019 |
7 |
19406 |
Thu, 17 March 2022 13:28
By: timritchie |
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Opening a .csv file
Troubles to open .csv file |
2 |
5085 |
Mon, 07 March 2022 15:42
By: gdeutsch |
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Became enamine database a sub-set of chemspace? |
1 |
3941 |
Sun, 06 March 2022 17:57
By: thomas |
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Enumeration of Libraries
More than fragments to be combined and enumerated By: frytz on Fri, 04 February 2022 |
1 |
3762 |
Thu, 10 February 2022 11:04
By: thomas |
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Auto create and disable range filter when null values found By: nats on Tue, 08 February 2022 |
0 |
2534 |
Tue, 08 February 2022 06:28
By: nats |
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C=C double bonds/search by extended stereochemistry By: nbehrnd on Tue, 30 November 2021 |
1 |
3926 |
Tue, 11 January 2022 16:12
By: thomas |
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Printing Form View Window to PDF
Printing Forms to PDF By: Ringard on Thu, 23 December 2021 |
1 |
3518 |
Tue, 11 January 2022 15:45
By: thomas |
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Embedded data By: GiangLe on Wed, 03 November 2021 |
3 |
7183 |
Fri, 05 November 2021 08:37
By: thomas |
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Enumerating Combinatorial Libraries |
2 |
6245 |
Wed, 03 November 2021 10:11
By: thomas |
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Graphs |
3 |
8106 |
Sat, 16 October 2021 17:51
By: thomas |
]
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