How to get the information about stripped salt

User cdc1fd6fff

16-11-2012 09:12:28

We have been able to strip salt by using standardizer. Is there any method or command line which can give the information about stripped salt class(eg.HCl,CF3COOH) and coefficient. We want to put the salt information into another column other than structure


Appreciate your help

ChemAxon afdac7b783

27-11-2012 15:36:23


Sorry for getting back to you so late. 


Which action did you use to strip salts?



Unfortunately, we do not have any method that can manage the stripped salt information so far. 


Could you send us an example of your preferred output (e.g., an sdf file) of the expected Standardizer action?  


We may consider to implemet this feature in the future. 


 


Best regards,


Viktoria 


 


User cdc1fd6fff

02-01-2013 06:27:31

Thank you very much for reply.


we had many stuctures like "with salt.sdf" in our database, and now we need to provide a file like "Stripped-salt.sdf". we are wondering if there is a convenient way to do this transform by batches

ChemAxon e08c317633

02-01-2013 13:18:10

Thank you for the description. We have registred this feature request.

ChemAxon e08c317633

05-07-2013 07:34:53

"Strip salts" standardizer action is available in JChem 6.0. It provides almost the same functionality as requested here.