Removing explicit hydrogrens on large PubChem compounds

User 8688ffe688

17-01-2013 17:43:19

Attached are two compounds from PubChem in which the standardizer api gets unresponsive when removing explicit hydrogens.  I have verified this through Standardizer tool, Marvin Sketch and Java API.  I noticed that the memory usage slowly increases, so there maybe a memory leak.  Would be nice to have a timeout option for standardizer.


I suspect that there is more in PubChem that Standardizer may have problems with but these are the first ones that I have encountered that have blocked data importing.

ChemAxon afdac7b783

21-01-2013 08:33:49

Thank you for reporting this poblem; we will investigate it.


Best regards,


Viktoria

ChemAxon afdac7b783

28-01-2013 08:07:16


Hi,


We found the problem. 
The fix will be available in version 5.12.x or 6.0.


Best regards,


Viktoria