Convert Data to Structure

User fca35de8d7

29-01-2016 10:32:57


we use Instant Jchem very extensively for screening analysis of single Projects. Now the idea comes up to make the standard tool for our assay data storage.
Unfortunately the Database is established already and covers the Structure data in a data table as InChi.
Is it possible to read e.g ID and InChi out of this Datatable, convert it to a ctab and put it into a structure table with the ID from the datatable as cd_id direct in Instant Jchem?

Thanks for your help,



ChemAxon 26d92e5dcd

01-02-2016 14:56:11

Dear Bernd,

the best way would be exporting the data from the database as for example comma separated values and then import via IJC. This way you will make sure that the strucutre field is created correctly in IJC.

There is also a possibility to directly promote a table with your already existing data in the database into IJC. It works fine with InChI structure format, but the table will be promoted as standard entity and not structure entity. You can visualise the structures, but can not edit them. 

Hence, the best approach is to export the data from already established database and import the data with IJC again.

Wishing all the best