convert chemical names to structures

User c9a5528de6

14-11-2007 04:47:33

I have two Qs:

1. how can I convert chemical names to structures in marvin sketch?

2. I have an access DB file which contains chemical name,ID,biological data. I want to add structures to the DB file(obviously like to convert names to structures automatically). I wonder if i can achieve this by using Instant Jchem?


ChemAxon fa971619eb

14-11-2007 07:47:36

Thanks for these questions.

1. We don't curretnly have a name to structure convertor, but one is under development (we do have one for structure to name)

2. If you exported the data from Access to a file (e.g. a comma or tab separated text file) then you could import into Instant JChem. But to generate structures you would need to use an external program.


User c9a5528de6

19-11-2007 04:38:29

Thanks Tim

ChemAxon fa971619eb

10-02-2009 07:43:07

This is a very old topic, but I thought it should be pointed out that there is now a name2strucutre convertor that can be used in Instant JChem.

This uses the IUPAC naming calculator plugin

Note that this plugin requires a license. It can also generate names from structures.