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Topic |
Replies |
Views |
Last message |
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 extension of substructure definition |
5 |
349 |
Sun, 17 September 2023 21:32
By: thomas  |
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unable to create new filters
in dwar files I cannot add or create new filters because "uncaught exception:-1" |
3 |
177 |
Wed, 13 September 2023 18:54
By: thomas |
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non-toxic Build Evolutionary Library
possible checking for individual molecular toxicity molecules during selection |
5 |
431 |
Mon, 11 September 2023 19:02
By: juliocoll |
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Splitting reactants column |
4 |
358 |
Sun, 10 September 2023 14:47
By: thomas |
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Tab delimited txt / open special
Functionality not as described By: CEADOG on Wed, 02 August 2023 |
3 |
261 |
Sat, 09 September 2023 21:47
By: thomas |
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Category Filter logic By: chemtv on Wed, 18 November 2020 |
6 |
4465 |
Thu, 07 September 2023 22:31
By: nbehrnd |
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thresholds and weights of toxicity risk |
2 |
200 |
Fri, 25 August 2023 10:21
By: nbehrnd |
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Generating Hyperspace input |
0 |
96 |
Thu, 24 August 2023 17:25
By: and_tos |
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correct input of charged reference structures, evolutionary libraries |
0 |
109 |
Tue, 22 August 2023 18:53
By: nbehrnd |
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Quick Copy & Paste |
2 |
250 |
Thu, 27 July 2023 20:55
By: jeusamio |
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Comparing Structures from two Datawarrior Files |
4 |
512 |
Mon, 17 July 2023 17:06
By: ELFritzen |
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Deleting 3D Confomers By: umaed on Fri, 14 July 2023 |
2 |
298 |
Fri, 14 July 2023 13:01
By: umaed |
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Chemaxon pKa plugin |
2 |
623 |
Wed, 12 July 2023 15:29
By: thomas |
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handling ultra large space
DB sizes and scaling By: jrs11 on Thu, 06 July 2023 |
0 |
219 |
Thu, 06 July 2023 00:07
By: jrs11 |
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Filter out nasty functions
to design a macro to filter all nasty functions their names should be included |
20 |
2757 |
Thu, 15 June 2023 16:40
By: juliocoll |
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Color a Row |
1 |
313 |
Wed, 14 June 2023 20:53
By: thomas |
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is it possible to find text By: Ashley on Wed, 14 June 2023 |
1 |
5703 |
Wed, 14 June 2023 20:50
By: thomas |
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Row Wise Sum |
2 |
439 |
Wed, 14 June 2023 08:44
By: amorrison |
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Unable to Create New Form
No "New Form View" Option |
1 |
313 |
Fri, 09 June 2023 17:11
By: thomas |
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'Search ChEMBL Database' function
Problem with substructure search |
4 |
6294 |
Sat, 27 May 2023 18:01
By: thomas |
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Calculating similarity to one query compound
molecular similarity |
3 |
9458 |
Mon, 22 May 2023 21:55
By: thomas |
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Add reaction from structure |
3 |
654 |
Mon, 22 May 2023 21:24
By: thomas |
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showing variable txt/values at "showMessage" macros
Trying to show variable txt/values to follow up WP macro code designs |
4 |
996 |
Fri, 12 May 2023 13:01
By: juliocoll |
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Search for "any atom" in structure editor |
3 |
1496 |
Sat, 29 April 2023 13:50
By: thomas |
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Opening .CSV file
Error when opening .csv file |
1 |
463 |
Mon, 27 March 2023 13:58
By: thomas |
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name vs score 2D plot |
10 |
1796 |
Sat, 18 March 2023 17:55
By: thomas |
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HBD/HBA |
5 |
2320 |
Sat, 18 March 2023 17:25
By: thomas |
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histograms 2D view
Requesting addition of an option to generate histograms (i.e. MW vs count) By: P_Fitz on Wed, 23 November 2022 |
2 |
874 |
Thu, 09 March 2023 01:34
By: P_Fitz |
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Calculate number of dates between 2 dates By: Zioubi on Tue, 21 February 2023 |
2 |
592 |
Tue, 21 February 2023 10:46
By: Zioubi |
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List Membership Filter |
2 |
779 |
Thu, 09 February 2023 16:42
By: ELFritzen |
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Docking score and Datawarrior By: Jo W on Fri, 23 December 2022 |
5 |
1469 |
Sat, 04 February 2023 19:22
By: Jo W |
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DW as a KNIME Plugin
KNIME |
4 |
2515 |
Fri, 03 February 2023 15:03
By: wsmts |
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Copy and Paste 3D Pose |
9 |
2446 |
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 |
608 |
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 |
785 |
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 |
1100 |
Thu, 19 January 2023 22:51
By: nbehrnd |
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ChemAxon plugin
Activation of ChemAxon into DW |
14 |
7702 |
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 |
987 |
Mon, 21 November 2022 10:43
By: thomas |
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Generate tautomers |
2 |
1132 |
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 |
1140 |
Wed, 19 October 2022 16:56
By: khom |
]
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