| |
|
Topic |
Replies |
Views |
Last message |
 |
|
Count # scaffolds by plate ID By: chemtv on Mon, 03 May 2021 |
8 |
17223 |
Fri, 07 May 2021 20:11
By: chemtv  |
|
|
Visualising SMILES string |
4 |
11937 |
Fri, 26 March 2021 09:31
By: amorrison |
|
|
Drug Likeness vs Drug Score |
5 |
15681 |
Tue, 09 February 2021 16:26
By: ELFritzen |
|
|
Acidic oxygen
Nitro group By: sansun on Fri, 05 February 2021 |
2 |
6502 |
Fri, 05 February 2021 13:25
By: thomas |
|
|
 Bring particular data forward in a graph
Graph visualisation |
3 |
9735 |
Sun, 08 November 2020 13:50
By: thomas |
|
|
Drug score |
5 |
26477 |
Thu, 05 November 2020 13:29
By: thomas |
|
|
translation of the idcodes By: nbehrnd on Thu, 22 October 2020 |
1 |
7234 |
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 |
7445 |
Thu, 22 October 2020 17:47
By: thomas |
|
|
Non-aromatic Het Rings
bridgehead rings By: sansun on Sun, 09 August 2020 |
2 |
8057 |
Thu, 27 August 2020 18:44
By: sansun |
|
|
TPSA
DW vs RDKit values differ By: sansun on Mon, 03 August 2020 |
3 |
10403 |
Mon, 17 August 2020 14:01
By: thomas |
|
|
Basic Nitrogen
how to see By: sansun on Fri, 07 August 2020 |
2 |
8802 |
Fri, 07 August 2020 18:18
By: thomas |
|
|
Splitting column data
Extracting year of publication By: sansun on Mon, 27 July 2020 |
4 |
11450 |
Thu, 30 July 2020 07:28
By: sansun |
|
|
Box plots
how to change positions By: sansun on Sat, 11 July 2020 |
2 |
7736 |
Mon, 13 July 2020 06:46
By: sansun |
|
|
Lipinski's rule
flag non-compliant molecules By: sansun on Mon, 29 June 2020 |
3 |
11765 |
Wed, 01 July 2020 10:11
By: nbehrnd |
|
|
TFA salts By: guyklx on Sun, 14 June 2020 |
2 |
9356 |
Mon, 15 June 2020 22:50
By: nbehrnd |
|
|
p value in box plots
p = 0 meaning By: sansun on Sun, 10 May 2020 |
2 |
8117 |
Wed, 13 May 2020 15:04
By: sansun |
|
|
Aromatic Amines
How is it counted By: sansun on Sun, 10 May 2020 |
2 |
7925 |
Wed, 13 May 2020 15:03
By: sansun |
|
|
Suggested addition: mirror access to Tautobase.dwar |
1 |
6256 |
Sun, 10 May 2020 15:40
By: thomas |
|
|
Use of calculated column functions By: sansun on Wed, 11 March 2020 |
5 |
15015 |
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 |
4565 |
Tue, 05 May 2020 20:48
By: TimR |
|
 |
Retrieve Wikipedia Molecules
Help understanding what is searched on Wikipedia |
1 |
7021 |
Fri, 03 April 2020 15:51
By: nbehrnd |
|
|
Automatic Calculation of Properties |
2 |
8629 |
Tue, 11 February 2020 22:42
By: ELFritzen |
|
|
Molecular Flexibility Descriptor By: paulc on Thu, 19 December 2019 |
2 |
11141 |
Tue, 14 January 2020 03:59
By: molcreator |
|
|
fragments |
5 |
16567 |
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 |
4894 |
Sat, 21 December 2019 21:45
By: paulc |
|
|
MD/ab initio for polymer solubility? By: muu9 on Mon, 11 November 2019 |
1 |
7567 |
Wed, 13 November 2019 21:02
By: nbehrnd |
|
|
chembl server
chembl server |
2 |
9306 |
Sat, 02 November 2019 17:07
By: pc419714@ohio.edu |
|
|
Computational Chemistry |
1 |
8529 |
Tue, 17 September 2019 16:44
By: nbehrnd |
|
|
SkelSpheres
Understanding how descriptor works |
1 |
7174 |
Fri, 23 August 2019 23:21
By: thomas |
|
|
Self Organizing Maps
How to interprete data |
0 |
4996 |
Thu, 08 August 2019 18:58
By: hungerfordwm |
|
|
tox predict folder |
1 |
7393 |
Wed, 17 April 2019 20:11
By: thomas |
|
|
Flexophore
Can we use this for PCA? By: sansun on Wed, 17 April 2019 |
1 |
6981 |
Wed, 17 April 2019 20:05
By: thomas |
|
|
issue with permeability
Permeability property is complaining and issues with marvin |
3 |
13510 |
Sun, 14 April 2019 21:55
By: thomas |
|
|
Where do pKa values in pKaInWater.dwar come from ?
pKa Values |
5 |
19131 |
Sun, 24 March 2019 22:42
By: thomas |
|
|
Reading in JSON files....
How does one read in a JSON file? |
0 |
5227 |
Mon, 11 March 2019 14:36
By: hungerfordwm |
|
|
Fit quality calculation By: mvamos on Fri, 25 January 2019 |
1 |
7610 |
Tue, 12 February 2019 19:09
By: thomas |
|
|
SMARTS searching
SMARTS searching within DataWarrior |
3 |
14794 |
Wed, 31 October 2018 00:36
By: abc123 |
|
|
Capacity |
1 |
8246 |
Thu, 30 August 2018 23:35
By: thomas |
|
|
problems about calculate compound properties |
1 |
7820 |
Thu, 10 May 2018 12:15
By: thomas |
|
|
Fuzzy Score
Require more info on Fuzzy score |
2 |
12654 |
Tue, 30 May 2017 11:39
By: vamsi9k |
]
Search
Help
Members
Register
Login
Home