How to create a relational DB with InstantJChem 2.2?

User 7ec961b644

06-02-2008 14:51:19


I'd like to create a relational DB. I have 2 files: one with structures and molecular IDs, and another file with molecular IDs and biological data.

Could you tell me step by step how you would go about creating a relational DB?

I know I can use the molecular ID filed to link them both. It's just that I haven't used InstantJChem for relational DBs.

I look forward to hearing from you.

Thanks. Best, -Guillermo.

ChemAxon fa971619eb

06-02-2008 15:53:35

Documentation on this can be found at:

Basically you should import your 2 sets of data into separate tables. You obviously need to import the field that is in common between the 2 data sets (your 'molecular ID' field) and make sure they have the same field type (e.g. Integer).

Then you need to create a relationship between the two tables. The type of relationship will depend on the ordinality of the data, but I would expect that it is many-to-one (from biological data to structures). The fields used at each end of the relationship would be the 'molecular ID' field. Depending on the type of database you are using you might need to set these as required fields and provide a default value (the Derby database behaves differently to Oracle or MySQL here).

Then you can edit the structures data tree to add an edge to it that uses the relationship that you added.

With that done you should be able to design a form for that data tree that shows the combined data.