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Topic |
Replies |
Views |
Last message |
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 Saving 2D-structure with labels |
8 |
265 |
Wed, 29 June 2022 04:05
By: vijaymasand  |
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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 |
11 |
5634 |
Tue, 28 June 2022 19:30
By: P_Fitz |
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ChemAxon plugin
Activation of ChemAxon into DW |
12 |
2050 |
Mon, 27 June 2022 12:02
By: thomas |
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Updating columns |
2 |
35 |
Mon, 27 June 2022 09:22
By: ChristerW |
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macro buildEvolutionaryLibrary from a mac terminal
macro buildEvolutionaryLibrary By: Bruno on Sat, 04 June 2022 |
5 |
212 |
Sat, 25 June 2022 12:55
By: thomas |
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Export Superimposed structures |
1 |
270 |
Sun, 15 May 2022 17:08
By: thomas |
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HBD/HBA |
1 |
324 |
Fri, 13 May 2022 18:06
By: thomas |
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defining molecule clusters after similarity analysis By: Xenia on Mon, 07 March 2022 |
2 |
553 |
Fri, 29 April 2022 18:09
By: Xenia |
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Assign cluster name based on cluster size By: mcmc on Thu, 07 April 2022 |
3 |
545 |
Fri, 22 April 2022 22:46
By: nbehrnd |
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search for conformers, empty column «minimization error» |
1 |
388 |
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 |
1884 |
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: JonW on Thu, 17 March 2022 |
3 |
778 |
Mon, 04 April 2022 09:00
By: sansun |
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Adjust font and size SALIplot |
1 |
427 |
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 |
439 |
Sat, 02 April 2022 17:28
By: thomas |
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Skelspheres descriptor
Skelspheres descriptor By: ECG93 on Fri, 04 March 2022 |
1 |
480 |
Sat, 02 April 2022 17:15
By: thomas |
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Chemistry in 3D
tutorials |
5 |
900 |
Wed, 23 March 2022 12:45
By: Christophe |
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How to perform general R group searches in DW
Substructure searches By: JonW on Tue, 28 December 2021 |
4 |
1225 |
Thu, 17 March 2022 22:42
By: nbehrnd |
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Functionality request: MPO score By: mvamos on Thu, 19 December 2019 |
7 |
6856 |
Thu, 17 March 2022 13:28
By: timritchie |
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Opening a .csv file
Troubles to open .csv file |
2 |
577 |
Mon, 07 March 2022 15:42
By: gdeutsch |
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Became enamine database a sub-set of chemspace? |
1 |
458 |
Sun, 06 March 2022 17:57
By: thomas |
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DW as a KNIME Plugin
KNIME |
1 |
596 |
Fri, 11 February 2022 17:49
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 |
581 |
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 |
388 |
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 |
801 |
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 |
614 |
Tue, 11 January 2022 15:45
By: thomas |
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Embedded data By: GiangLe on Wed, 03 November 2021 |
3 |
1518 |
Fri, 05 November 2021 08:37
By: thomas |
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Enumerating Combinatorial Libraries |
2 |
1366 |
Wed, 03 November 2021 10:11
By: thomas |
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Graphs |
3 |
3563 |
Sat, 16 October 2021 17:51
By: thomas |
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Move Row/Hide Row |
2 |
1495 |
Sat, 16 October 2021 17:27
By: thomas |
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feature suggestion: .sdf export with explicit hydrogens By: nbehrnd on Tue, 07 September 2021 |
2 |
1638 |
Sat, 25 September 2021 18:01
By: nbehrnd |
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2D Scatter Plot Axes |
2 |
1462 |
Fri, 24 September 2021 01:12
By: sbembenek18 |
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Confirming Sali values generated in Datawarrior / Machine learning and multiple descriptors in DW
Sali Plots By: JonW on Thu, 23 September 2021 |
1 |
1127 |
Thu, 23 September 2021 13:41
By: thomas |
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similarity_search_protocol By: khom on Mon, 20 September 2021 |
1 |
1057 |
Thu, 23 September 2021 12:10
By: thomas |
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multiple database queries
How to pull multiple datasets in where one can reference data from another By: nats on Wed, 15 September 2021 |
1 |
1043 |
Thu, 23 September 2021 11:44
By: thomas |
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Box Plot - Statistics |
1 |
1091 |
Thu, 23 September 2021 10:46
By: thomas |
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Database connection
Loading fresh data from database on file open By: nats on Mon, 30 August 2021 |
2 |
1461 |
Thu, 09 September 2021 03:23
By: nats |
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Freeze panes
Viewing Feature Request |
2 |
1511 |
Mon, 30 August 2021 19:42
By: richards99 |
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SQL Connection |
3 |
1920 |
Thu, 19 August 2021 20:01
By: thomas |
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fewer digits when hovering over plots By: mcmc on Thu, 22 July 2021 |
2 |
1454 |
Thu, 19 August 2021 19:08
By: thomas |
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Feature Request: Load/write gzipped files |
2 |
1523 |
Wed, 28 July 2021 09:39
By: oNITleYR |
]
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