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ChemAxon calculated properties How do I calc chemaxon properties By: drc007 on Fri, 25 July 2014 |
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38662 |
Mon, 27 June 2022 18:26 By: thomas  |
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Exporting a descriptor as a Textfile |
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693 |
Thu, 02 June 2022 17:24 By: Christophe  |
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Dealing with multiple "0% inhibition" results in HTS tests |
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190 |
Thu, 28 April 2022 11:25 By: Christophe  |
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Assessing A Machine Learning Method's Predictivity |
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716 |
Fri, 22 April 2022 14:20 By: Christophe  |
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Find similars all information not captured By: sansun on Mon, 21 March 2022 |
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566 |
Sat, 02 April 2022 16:47 By: thomas  |
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retrosyntheis tools |
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4495 |
Thu, 24 March 2022 08:57 By: nbehrnd  |
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Importing compounds with assay data from Pubchem into Datawarrior PubChem - importing to Datawarrior By: JonW on Fri, 23 July 2021 |
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3396 |
Thu, 10 February 2022 11:07 By: YTWu  |
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LE, LLE & LELP |
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435 |
Mon, 07 February 2022 13:51 By: Christophe  |
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3-D structures vs descriptors |
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690 |
Tue, 11 January 2022 17:00 By: thomas  |
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Integration with KNIME or Python Can we add customized cheminformatics toolkits to DataWarrior? By: cfang on Thu, 04 November 2021 |
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1103 |
Sat, 13 November 2021 04:23 By: yymomo  |
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sp3 count By: mvamos on Tue, 10 August 2021 |
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2153 |
Fri, 20 August 2021 12:05 By: thomas  |
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Mean value in category function By: chemtv on Wed, 21 July 2021 |
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836 |
Wed, 21 July 2021 20:06 By: chemtv  |
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mean from 'n' in pKaInWater.dwar By: peter on Fri, 21 May 2021 |
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1979 |
Tue, 25 May 2021 13:27 By: peter  |
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cumlativeSumInCategory By: chemtv on Wed, 19 May 2021 |
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1807 |
Fri, 21 May 2021 14:18 By: chemtv  |
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Count # scaffolds by plate ID By: chemtv on Mon, 03 May 2021 |
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4331 |
Fri, 07 May 2021 20:11 By: chemtv  |
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Visualising SMILES string |
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3482 |
Fri, 26 March 2021 09:31 By: amorrison  |
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Drug Likeness vs Drug Score |
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4423 |
Tue, 09 February 2021 16:26 By: ELFritzen  |
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Acidic oxygen Nitro group By: sansun on Fri, 05 February 2021 |
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2101 |
Fri, 05 February 2021 13:25 By: thomas  |
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Bring particular data forward in a graph Graph visualisation |
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3648 |
Sun, 08 November 2020 13:50 By: thomas  |
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Drug score |
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15272 |
Thu, 05 November 2020 13:29 By: thomas  |
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translation of the idcodes By: nbehrnd on Thu, 22 October 2020 |
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2058 |
Fri, 23 October 2020 15:05 By: thomas  |
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Batch conversion of dwar files DWAR to SDF/CSV By: jeremy on Wed, 21 October 2020 |
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2068 |
Thu, 22 October 2020 17:47 By: thomas  |
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Non-aromatic Het Rings bridgehead rings By: sansun on Sun, 09 August 2020 |
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3276 |
Thu, 27 August 2020 18:44 By: sansun  |
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TPSA DW vs RDKit values differ By: sansun on Mon, 03 August 2020 |
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3946 |
Mon, 17 August 2020 14:01 By: thomas  |
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Basic Nitrogen how to see By: sansun on Fri, 07 August 2020 |
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3188 |
Fri, 07 August 2020 18:18 By: thomas  |
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Splitting column data Extracting year of publication By: sansun on Mon, 27 July 2020 |
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4641 |
Thu, 30 July 2020 07:28 By: sansun  |
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Box plots how to change positions By: sansun on Sat, 11 July 2020 |
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3515 |
Mon, 13 July 2020 06:46 By: sansun  |
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Lipinski's rule flag non-compliant molecules By: sansun on Mon, 29 June 2020 |
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5003 |
Wed, 01 July 2020 10:11 By: nbehrnd  |
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TFA salts By: guyklx on Sun, 14 June 2020 |
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3872 |
Mon, 15 June 2020 22:50 By: nbehrnd  |
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p value in box plots p = 0 meaning By: sansun on Sun, 10 May 2020 |
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3671 |
Wed, 13 May 2020 15:04 By: sansun  |
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Aromatic Amines How is it counted By: sansun on Sun, 10 May 2020 |
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3575 |
Wed, 13 May 2020 15:03 By: sansun  |
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Suggested addition: mirror access to Tautobase.dwar |
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2727 |
Sun, 10 May 2020 15:40 By: thomas  |
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Use of calculated column functions By: sansun on Wed, 11 March 2020 |
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7410 |
Sun, 10 May 2020 06:00 By: sansun  |
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SureChEMBL accessing and analyzing the SureChEMBL database via DataWarrior By: TimR on Tue, 05 May 2020 |
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2225 |
Tue, 05 May 2020 20:48 By: TimR  |
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Retrieve Wikipedia Molecules Help understanding what is searched on Wikipedia |
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3057 |
Fri, 03 April 2020 15:51 By: nbehrnd  |
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Automatic Calculation of Properties |
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4259 |
Tue, 11 February 2020 22:42 By: ELFritzen  |
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Molecular Flexibility Descriptor By: paulc on Thu, 19 December 2019 |
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5136 |
Tue, 14 January 2020 03:59 By: molcreator  |
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fragments |
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8731 |
Sun, 29 December 2019 09:21 By: Max marine  |
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Molecular Flexibility Descriptor What is the basis of this descriptor By: paulc on Sat, 21 December 2019 |
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2331 |
Sat, 21 December 2019 21:45 By: paulc  |
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MD/ab initio for polymer solubility? By: muu9 on Mon, 11 November 2019 |
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3664 |
Wed, 13 November 2019 21:02 By: nbehrnd  |