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  Protonation state of cmpds
Any way to display if the compound is protonated or not
By: shwang on Fri, 11 November 2022
1 97 Fri, 11 November 2022 10:00
By: thomas
  Add pharmacophores into the 3D-view ?
By: Christophe on Tue, 25 October 2022
1 149 Wed, 09 November 2022 18:10
By: thomas
  Stereochemical questions
Stereochemical questions
By: don on Mon, 07 November 2022
2 138 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: JonW on Mon, 12 September 2022
4 701 Wed, 28 September 2022 21:02
By: Paul
  Molecular Descriptors Tools (Free for non-commercial use)
By: aSalem on Fri, 23 September 2022
1 255 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
2 423 Wed, 14 September 2022 08:29
By: Charlene
  Metrics to use for UMAP analysis with SkelSpheres descriptor
By: Christophe on Thu, 08 September 2022
2 447 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 1291 Tue, 19 July 2022 09:37
By: Christophe
  t-SNE
interprettation
By: sansun on Fri, 15 July 2022
2 1128 Tue, 19 July 2022 09:35
By: sansun
  Exporting a descriptor as a Textfile
By: Christophe on Mon, 09 May 2022
11 3245 Tue, 19 July 2022 09:32
By: Christophe
  Find similars using Flexophore
Error
By: sansun on Sat, 16 July 2022
2 626 Sat, 16 July 2022 13:02
By: sansun
  Find similars
all information not captured
By: sansun on Mon, 21 March 2022
3 1328 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
2 792 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 41404 Thu, 30 June 2022 13:17
By: Christophe
  Assessing A Machine Learning Method's Predictivity
By: Christophe on Tue, 01 March 2022
2 1339 Fri, 22 April 2022 14:20
By: Christophe
  retrosyntheis tools
By: scottwabc01 on Wed, 22 September 2021
18 7625 Thu, 24 March 2022 08:57
By: nbehrnd
  Importing compounds with assay data from Pubchem into Datawarrior
PubChem - importing to Datawarrior
By: JonW on Fri, 23 July 2021
6 4875 Thu, 10 February 2022 11:07
By: YTWu
  LE, LLE & LELP
By: Christophe on Mon, 07 February 2022
0 816 Mon, 07 February 2022 13:51
By: Christophe
  3-D structures vs descriptors
By: Christophe on Tue, 04 January 2022
1 1171 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 1631 Sat, 13 November 2021 04:23
By: yymomo
  sp3 count
By: mvamos on Tue, 10 August 2021
3 3155 Fri, 20 August 2021 12:05
By: thomas
  Mean value in category function
By: chemtv on Wed, 21 July 2021
0 1198 Wed, 21 July 2021 20:06
By: chemtv
  mean from 'n' in pKaInWater.dwar
By: peter on Fri, 21 May 2021
2 2613 Tue, 25 May 2021 13:27
By: peter
  cumlativeSumInCategory
By: chemtv on Wed, 19 May 2021
2 2418 Fri, 21 May 2021 14:18
By: chemtv
  Count # scaffolds by plate ID
By: chemtv on Mon, 03 May 2021
8 5794 Fri, 07 May 2021 20:11
By: chemtv
  Visualising SMILES string
By: amorrison on Thu, 18 March 2021
4 4468 Fri, 26 March 2021 09:31
By: amorrison
  Drug Likeness vs Drug Score
By: ELFritzen on Mon, 01 February 2021
5 5743 Tue, 09 February 2021 16:26
By: ELFritzen
  Acidic oxygen
Nitro group
By: sansun on Fri, 05 February 2021
2 2752 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 4621 Sun, 08 November 2020 13:50
By: thomas
  Drug score
By: plonacyrydwan on Thu, 15 January 2015
5 16490 Thu, 05 November 2020 13:29
By: thomas
  translation of the idcodes
By: nbehrnd on Thu, 22 October 2020
1 2572 Fri, 23 October 2020 15:05
By: thomas
  Batch conversion of dwar files
DWAR to SDF/CSV
By: jeremy on Wed, 21 October 2020
1 2555 Thu, 22 October 2020 17:47
By: thomas
  Non-aromatic Het Rings
bridgehead rings
By: sansun on Sun, 09 August 2020
2 3883 Thu, 27 August 2020 18:44
By: sansun
  TPSA
DW vs RDKit values differ
By: sansun on Mon, 03 August 2020
3 4715 Mon, 17 August 2020 14:01
By: thomas
  Basic Nitrogen
how to see
By: sansun on Fri, 07 August 2020
2 3883 Fri, 07 August 2020 18:18
By: thomas
  Splitting column data
Extracting year of publication
By: sansun on Mon, 27 July 2020
4 5507 Thu, 30 July 2020 07:28
By: sansun
  Box plots
how to change positions
By: sansun on Sat, 11 July 2020
2 4101 Mon, 13 July 2020 06:46
By: sansun
  Lipinski's rule
flag non-compliant molecules
By: sansun on Mon, 29 June 2020
3 5869 Wed, 01 July 2020 10:11
By: nbehrnd
  TFA salts
By: guyklx on Sun, 14 June 2020
2 4612 Mon, 15 June 2020 22:50
By: nbehrnd
  p value in box plots
p = 0 meaning
By: sansun on Sun, 10 May 2020
2 4289 Wed, 13 May 2020 15:04
By: sansun
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