Importing Chemaxon Reaction Library in a reaction table

Hello,

As a partner of Chemaxon, AgiLab would like to implement in its ELN ChemLab, parallel - combinatorial synthesis experiments. This ELN works with Oracle JCHEM Cartridge 6.0.

In order to do that we would like to use Reactor. The first step would be to display  the chemaxon reaction library where users could select the reaction schema.

We have created both a Reaction table and a Markush library table. When we try to import reactions with JMAN from your Chemaxon Reaction Library we have the folowing errors.

When trying to import in a reaction table :

when trying to import in a Markush table :

 

 

 

Hi!

You may also create JChem table, which has type of Any structures. Can you use this JChem table type? It should allow both, reactions and markush structures to be present in your table. However, there might be some limitations in search options on that table.

I moved this topic to the proper forum. My colleagues may give you more sophisticated answer.

Thanks
Filip 

Hi,

Yes, you can store the reactions of ChemAxon's reaction library in 'Any structures' type JChem table, and browse the table content with an appropriate application (e.g., Intant JChem). However, the searches (except duplicate search) run only with limitations, they do not handle certain features on the target side (query atoms, atoms lists, query properties, R-groups, ...) .

Best regards,

Krisztina