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Comparing Structure Files
proble to use the "Find similar compound in other file" tool |
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75 |
Thu, 13 January 2022 23:44
By: nbehrnd  |
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How to perform general R group searches in DW
Substructure searches By: JonW on Tue, 28 December 2021 |
2 |
152 |
Tue, 11 January 2022 16:41
By: thomas |
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 C=C double bonds/search by extended stereochemistry By: nbehrnd on Tue, 30 November 2021 |
1 |
222 |
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 |
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33 |
Tue, 11 January 2022 15:45
By: thomas |
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Embedded data By: GiangLe on Wed, 03 November 2021 |
3 |
580 |
Fri, 05 November 2021 08:37
By: thomas |
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Enumerating Combinatorial Libraries |
2 |
522 |
Wed, 03 November 2021 10:11
By: thomas |
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Graphs |
3 |
2620 |
Sat, 16 October 2021 17:51
By: thomas |
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Move Row/Hide Row |
2 |
757 |
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 |
749 |
Sat, 25 September 2021 18:01
By: nbehrnd |
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2D Scatter Plot Axes |
2 |
719 |
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 |
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501 |
Thu, 23 September 2021 13:41
By: thomas |
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similarity_search_protocol By: khom on Mon, 20 September 2021 |
1 |
482 |
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 |
509 |
Thu, 23 September 2021 11:44
By: thomas |
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Box Plot - Statistics |
1 |
521 |
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 |
739 |
Thu, 09 September 2021 03:23
By: nats |
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Freeze panes
Viewing Feature Request |
2 |
792 |
Mon, 30 August 2021 19:42
By: richards99 |
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SQL Connection |
3 |
1019 |
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 |
748 |
Thu, 19 August 2021 19:08
By: thomas |
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Feature Request: Load/write gzipped files |
2 |
789 |
Wed, 28 July 2021 09:39
By: oNITleYR |
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colouring of selected datapoints By: mcmc on Thu, 22 July 2021 |
2 |
846 |
Mon, 26 July 2021 14:36
By: mcmc |
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Problemin exporting structures as SMILES generated from evolutionary library into excel
Generating SMILES from structures found in Datawarrior - problem in export By: JonW on Sun, 18 July 2021 |
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685 |
Mon, 19 July 2021 09:53
By: thomas |
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Axis |
1 |
649 |
Thu, 08 July 2021 21:18
By: thomas |
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Adapt size to zoom state |
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612 |
Thu, 08 July 2021 21:15
By: thomas |
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Methods to select diverse compounds using non-binary descriptors? By: EJW515 on Wed, 30 June 2021 |
0 |
523 |
Wed, 30 June 2021 13:37
By: EJW515 |
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Set Bond Properties for Combinatorial Library By: sn on Mon, 21 June 2021 |
1 |
646 |
Mon, 28 June 2021 21:52
By: thomas |
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Doubly Substituted Reactants for Combinatorial Library By: sn on Sun, 20 June 2021 |
5 |
1343 |
Fri, 25 June 2021 20:52
By: nbehrnd |
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Combinatorial Library Enumeration By: ndandu on Mon, 21 June 2021 |
1 |
613 |
Tue, 22 June 2021 22:21
By: nbehrnd |
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Reaction enumeration with aromaticity |
2 |
1079 |
Wed, 02 June 2021 23:22
By: mattiafelice.palermo |
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freeze columns, free sorting of rows
freeze front columns, free sorting of rows. |
3 |
1397 |
Mon, 24 May 2021 12:17
By: thomas |
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keep sequence of row list |
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792 |
Mon, 24 May 2021 12:15
By: thomas |
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missing entry tautobase |
2 |
1184 |
Thu, 20 May 2021 23:10
By: nbehrnd |
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Globularity
how do exisitng DW shape/ linearity calculations compare to globularity score? By: P_Fitz on Wed, 24 March 2021 |
4 |
2271 |
Tue, 30 March 2021 17:10
By: thomas |
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reaction enumeration reagent connection
connection to reagent server not available |
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1054 |
Thu, 11 March 2021 01:19
By: thomas |
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Similarity analysis using "find similar compounds..." - slow analysis of libraries
Similarity analysis By: SM2020 on Tue, 24 November 2020 |
9 |
4338 |
Tue, 02 March 2021 23:40
By: SM2020 |
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Confidentiality of compound structures By: mhf2021 on Tue, 16 February 2021 |
2 |
1379 |
Tue, 16 February 2021 18:41
By: nbehrnd |
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Macro questions: preserving columnProperty and setting date filter By: Andrew0 on Fri, 05 February 2021 |
4 |
2198 |
Tue, 16 February 2021 18:40
By: Andrew0 |
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2D coordinates in the template
2D Coordinates settings saved |
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1130 |
Thu, 28 January 2021 10:03
By: thomas |
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Column Order |
2 |
1576 |
Wed, 20 January 2021 16:19
By: ELFritzen |
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Column Resorting Tool
Resort Columns in a Dialog Box |
5 |
2979 |
Tue, 19 January 2021 09:03
By: nbehrnd |
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Molecules representative within a cluster |
1 |
1112 |
Wed, 13 January 2021 20:58
By: thomas |
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