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  AllFragFp
By: Christophe on Fri, 12 April 2024
5 1458 Thu, 23 May 2024 22:48
By: thomas
  running a DW macro in batch
How to run a macro over multiple .dwar files to generate new .sdf files containing 3D conformers
By: SM2020 on Thu, 30 November 2023
2 1320 Thu, 28 December 2023 13:27
By: SM2020
  Change default structure copy option
By: helloWorld22 on Tue, 19 December 2023
1 688 Tue, 19 December 2023 23:23
By: nbehrnd
  datawarrior descriptor literature refs
seeking literature on chemical descriptos in datawarrior
By: Maxwell on Mon, 18 December 2023
1 787 Mon, 18 December 2023 16:02
By: nbehrnd
  peediction missing values- descriptors
By: Jirzy on Thu, 23 November 2023
0 730 Thu, 23 November 2023 11:52
By: Jirzy
  Free Wilson Analysis
By: amorrison on Fri, 17 March 2023
2 2567 Mon, 20 March 2023 08:41
By: amorrison
  Displaying change in r value from a selected sample of a dataset
Statistical View Options
By: Jo W on Tue, 17 January 2023
7 5075 Tue, 21 February 2023 14:59
By: thomas
  Searching multiple structures in Google patents via "selected compounds"
Patent searches in Datwarrior
By: Jo W on Thu, 09 February 2023
1 1935 Tue, 21 February 2023 11:00
By: thomas
  Link to oracle per row
By: de_maas on Fri, 17 February 2023
2 2435 Mon, 20 February 2023 10:28
By: de_maas
  Generate 2D atom coordinates gives overlapping atoms
By: mcmc on Tue, 31 January 2023
5 4205 Fri, 10 February 2023 23:00
By: nbehrnd
  Optional automatic protonation feature of Nitrogen in DW using EL
By: Jo W on Mon, 30 January 2023
6 4072 Thu, 09 February 2023 22:00
By: thomas
  Protonation state of cmpds
Any way to display if the compound is protonated or not
By: shwang on Fri, 11 November 2022
1 1872 Fri, 11 November 2022 10:00
By: thomas
  Add pharmacophores into the 3D-view ?
By: Christophe on Tue, 25 October 2022
1 1761 Wed, 09 November 2022 18:10
By: thomas
  Stereochemical questions
Stereochemical questions
By: don on Mon, 07 November 2022
2 2448 Tue, 08 November 2022 16:54
By: don
  Sorting, counting and deleting different elements (e.g., Iodine) in a dataset
Filtering uncommon elements from a drug like dataset in Datawarrior
By: Jo W on Mon, 12 September 2022
4 3778 Wed, 28 September 2022 21:02
By: Paul
  Molecular Descriptors Tools (Free for non-commercial use)
By: aSalem on Fri, 23 September 2022
1 2164 Wed, 28 September 2022 20:01
By: Paul
  Removing "NaN points" from graphs or formula to avoid "NaN" results
By: Charlene on Mon, 12 September 2022
2 2808 Wed, 14 September 2022 08:29
By: Charlene
  Metrics to use for UMAP analysis with SkelSpheres descriptor
By: Christophe on Thu, 08 September 2022
2 3259 Fri, 09 September 2022 10:23
By: Christophe
  Dealing with multiple "0% inhibition" results in HTS tests
By: Christophe on Thu, 28 April 2022
2 3659 Tue, 19 July 2022 09:37
By: Christophe
  t-SNE
interprettation
By: sansun on Fri, 15 July 2022
2 4101 Tue, 19 July 2022 09:35
By: sansun
  Exporting a descriptor as a Textfile
By: Christophe on Mon, 09 May 2022
11 10506 Tue, 19 July 2022 09:32
By: Christophe
  Find similars using Flexophore
Error
By: sansun on Sat, 16 July 2022
2 2930 Sat, 16 July 2022 13:02
By: sansun
  Find similars
all information not captured
By: sansun on Mon, 21 March 2022
3 3967 Fri, 15 July 2022 09:34
By: sansun
  Developing plugins using SDK2
How to use queryMolFile and similarityLimit in Example2 in SDK2.0
By: helloWorld22 on Wed, 13 July 2022
2 3035 Thu, 14 July 2022 16:04
By: helloWorld22
  ChemAxon calculated properties
How do I calc chemaxon properties
By: drc007 on Fri, 25 July 2014
12 52156 Thu, 30 June 2022 13:17
By: Christophe
  Assessing A Machine Learning Method's Predictivity
By: Christophe on Tue, 01 March 2022
2 3633 Fri, 22 April 2022 14:20
By: Christophe
  retrosyntheis tools
By: scottwabc01 on Wed, 22 September 2021
18 19711 Thu, 24 March 2022 08:57
By: nbehrnd
  Importing compounds with assay data from Pubchem into Datawarrior
PubChem - importing to Datawarrior
By: Jo W on Fri, 23 July 2021
6 9794 Thu, 10 February 2022 11:07
By: YTWu
  LE, LLE & LELP
By: Christophe on Mon, 07 February 2022
0 2182 Mon, 07 February 2022 13:51
By: Christophe
  3-D structures vs descriptors
By: Christophe on Tue, 04 January 2022
1 2772 Tue, 11 January 2022 17:00
By: thomas
icon5.gif Integration with KNIME or Python
Can we add customized cheminformatics toolkits to DataWarrior?
By: cfang on Thu, 04 November 2021
1 3546 Sat, 13 November 2021 04:23
By: yymomo
  sp3 count
By: mvamos on Tue, 10 August 2021
3 6942 Fri, 20 August 2021 12:05
By: thomas
  Mean value in category function
By: chemtv on Wed, 21 July 2021
0 2375 Wed, 21 July 2021 20:06
By: chemtv
  mean from 'n' in pKaInWater.dwar
By: peter on Fri, 21 May 2021
2 5221 Tue, 25 May 2021 13:27
By: peter
  cumlativeSumInCategory
By: chemtv on Wed, 19 May 2021
2 4615 Fri, 21 May 2021 14:18
By: chemtv
  Count # scaffolds by plate ID
By: chemtv on Mon, 03 May 2021
8 11915 Fri, 07 May 2021 20:11
By: chemtv
  Visualising SMILES string
By: amorrison on Thu, 18 March 2021
4 8478 Fri, 26 March 2021 09:31
By: amorrison
  Drug Likeness vs Drug Score
By: ELFritzen on Mon, 01 February 2021
5 10626 Tue, 09 February 2021 16:26
By: ELFritzen
  Acidic oxygen
Nitro group
By: sansun on Fri, 05 February 2021
2 4809 Fri, 05 February 2021 13:25
By: thomas
  Bring particular data forward in a graph
Graph visualisation
By: rachel.clare on Wed, 04 November 2020
3 7449 Sun, 08 November 2020 13:50
By: thomas
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