I am wondering if it is possible to perform structure-based searches with IJC of the compound structures stored in an Oracle materialized view. I have a simple schema. It is composed of one table (and assocaied IJC_* tables) with unique structures that was generated by importing structures with IJC. In addition I have a second table that contains IC50 data identified by a structure ID and a batch ID. I have generated a materialized view that aggregates multiple IC50 results into an average IC50. I would like to know if it is possible to add this table as an IJC entity and perform structure based searches within this grid view.
I am using IJC 5.3.6, Oracle 10.2 without the JChem catridge installed.
Yes, Oracle materialized views behave like normal tables in IJC so can be used. As long as the materialized view definition does not change then there should be no problems (but this is no different to a normal table).
You can also add a JChem cartridge index to a structure column in a materialized view and IJC can handle it as a JChem cartridge based structure entity.
I am able to promote the materialized view into IJC. I can view the grid view of the table that is automatically generated and I can render structures (smiles) within the materialized view, but I cannot perform structure-based searching on this view. Am I missing some columns in the materialized view that are required to make these structures searchable?
Is this a materialized view with a cartridge index on the structure column? If so then it should be promotable as a cartridge entity in IJC and should be searchable using structure search.
If it was not promoted as a cartridge entity then the structures will be handled as text and not allow structure searching,
If you are still having problems please send a complete log file (View -> Instant JChem log file) as that contains lots of diagnostic information.
My materialized view was not promoted as a cartridge entity since I'm using IJC with an Oracle schema that does not have the catridge installed. Based on this, I am seeing exactly the behavior that you described.
If I understand correctly, in order to perform structure-based searches on the structures in this table I need to obatin access to the jchem catridge, use it to create an index on this materialed view and then promote it again as an IJC entity.
Yes, thats exactly right.