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  Drug score
By: plonacyrydwan on Thu, 15 January 2015
5 19736 Thu, 05 November 2020 13:29
By: thomas
  translation of the idcodes
By: nbehrnd on Thu, 22 October 2020
1 4928 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 4032 Thu, 22 October 2020 17:47
By: thomas
  Non-aromatic Het Rings
bridgehead rings
By: sansun on Sun, 09 August 2020
2 5567 Thu, 27 August 2020 18:44
By: sansun
  TPSA
DW vs RDKit values differ
By: sansun on Mon, 03 August 2020
3 6857 Mon, 17 August 2020 14:01
By: thomas
  Basic Nitrogen
how to see
By: sansun on Fri, 07 August 2020
2 5766 Fri, 07 August 2020 18:18
By: thomas
  Splitting column data
Extracting year of publication
By: sansun on Mon, 27 July 2020
4 7880 Thu, 30 July 2020 07:28
By: sansun
  Box plots
how to change positions
By: sansun on Sat, 11 July 2020
2 5472 Mon, 13 July 2020 06:46
By: sansun
  Lipinski's rule
flag non-compliant molecules
By: sansun on Mon, 29 June 2020
3 8213 Wed, 01 July 2020 10:11
By: nbehrnd
  TFA salts
By: guyklx on Sun, 14 June 2020
2 6389 Mon, 15 June 2020 22:50
By: nbehrnd
  p value in box plots
p = 0 meaning
By: sansun on Sun, 10 May 2020
2 5736 Wed, 13 May 2020 15:04
By: sansun
  Aromatic Amines
How is it counted
By: sansun on Sun, 10 May 2020
2 5608 Wed, 13 May 2020 15:03
By: sansun
  Suggested addition: mirror access to Tautobase.dwar
By: nbehrnd on Tue, 28 April 2020
1 4381 Sun, 10 May 2020 15:40
By: thomas
  Use of calculated column functions
By: sansun on Wed, 11 March 2020
5 10888 Sun, 10 May 2020 06:00
By: sansun
  SureChEMBL
accessing and analyzing the SureChEMBL database via DataWarrior
By: TimR on Tue, 05 May 2020
0 3389 Tue, 05 May 2020 20:48
By: TimR
icon5.gif Retrieve Wikipedia Molecules
Help understanding what is searched on Wikipedia
By: MedChemProf on Thu, 02 April 2020
1 4897 Fri, 03 April 2020 15:51
By: nbehrnd
  Automatic Calculation of Properties
By: ELFritzen on Wed, 22 January 2020
2 6208 Tue, 11 February 2020 22:42
By: ELFritzen
  Molecular Flexibility Descriptor
By: paulc on Thu, 19 December 2019
2 7843 Tue, 14 January 2020 03:59
By: molcreator
  fragments
By: pc419714@ohio.edu on Thu, 11 April 2019
5 12135 Sun, 29 December 2019 09:21
By: Max marine
  Molecular Flexibility Descriptor
What is the basis of this descriptor
By: paulc on Sat, 21 December 2019
0 3511 Sat, 21 December 2019 21:45
By: paulc
  MD/ab initio for polymer solubility?
By: muu9 on Mon, 11 November 2019
1 5323 Wed, 13 November 2019 21:02
By: nbehrnd
  chembl server
chembl server
By: pc419714@ohio.edu on Sun, 13 October 2019
2 6829 Sat, 02 November 2019 17:07
By: pc419714@ohio.edu
  Computational Chemistry
By: ruthamcau on Mon, 16 September 2019
1 6233 Tue, 17 September 2019 16:44
By: nbehrnd
  SkelSpheres
Understanding how descriptor works
By: amdlea002 on Fri, 23 August 2019
1 5512 Fri, 23 August 2019 23:21
By: thomas
  Self Organizing Maps
How to interprete data
By: hungerfordwm on Thu, 08 August 2019
0 3681 Thu, 08 August 2019 18:58
By: hungerfordwm
  tox predict folder
By: pc419714@ohio.edu on Wed, 17 April 2019
1 5697 Wed, 17 April 2019 20:11
By: thomas
  Flexophore
Can we use this for PCA?
By: sansun on Wed, 17 April 2019
1 5244 Wed, 17 April 2019 20:05
By: thomas
  issue with permeability
Permeability property is complaining and issues with marvin
By: vamsi9k on Mon, 13 March 2017
3 10412 Sun, 14 April 2019 21:55
By: thomas
  Where do pKa values in pKaInWater.dwar come from ?
pKa Values
By: DrFunkenstein on Wed, 17 May 2017
5 14779 Sun, 24 March 2019 22:42
By: thomas
  Reading in JSON files....
How does one read in a JSON file?
By: hungerfordwm on Mon, 11 March 2019
0 3824 Mon, 11 March 2019 14:36
By: hungerfordwm
  Fit quality calculation
By: mvamos on Fri, 25 January 2019
1 5850 Tue, 12 February 2019 19:09
By: thomas
  SMARTS searching
SMARTS searching within DataWarrior
By: amorrison on Mon, 15 January 2018
3 11466 Wed, 31 October 2018 00:36
By: abc123
  Capacity
By: laosoriom on Thu, 30 August 2018
1 5923 Thu, 30 August 2018 23:35
By: thomas
  problems about calculate compound properties
By: zhangyu on Thu, 10 May 2018
1 6187 Thu, 10 May 2018 12:15
By: thomas
  Fuzzy Score
Require more info on Fuzzy score
By: vamsi9k on Tue, 23 May 2017
2 9130 Tue, 30 May 2017 11:39
By: vamsi9k
  Compound properties
By: xhubei08 on Thu, 15 September 2016
1 7677 Fri, 23 September 2016 23:04
By: thomas
  File format
How to convert .dwar file format to .sfd file format
By: shreyas.iyer on Mon, 23 May 2016
1 9001 Thu, 26 May 2016 23:04
By: thomas
  Access Database not in DataWarrior List
By: MedChemProf on Thu, 05 May 2016
1 9131 Fri, 13 May 2016 21:56
By: thomas
  How are compounds clustered?
What algorthm is used to cluster the compounds?
By: mindhira on Fri, 13 May 2016
1 8021 Fri, 13 May 2016 21:22
By: thomas
  What method is used to cluster compounds
By: mindhira on Tue, 10 May 2016
0 5525 Tue, 10 May 2016 22:22
By: mindhira
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