How to retrieve identifier other than cd_id in JChem search

HI,

 

I have a WCF service that does substructure search in a ChemAxon moltable.

This is what I do:

connect to db to

JChemSearch search = new JChemSearch();

call setConnectionHandler

create Molecule from molfile using MolImporter

setQueryStructure(Molecule)

 

Set JChemSearchOptions to use SUBSTRUCTURE

search.run()

int[] cidlist = search.GetResult();

This works fine. I get my array with cd_id's.

What I want is to fetch a different identifier (a varchar that is used as our external identifier). This identifieriers are stored in a column defined in the chemaxon moltable.

QUESTION: How do I get back a list of external identifiers rather than cd_id's ?

ANOTHER QUESTION:

The final step would be to retrieve the structures (in molfile format) associated with the external identifiers (or alternatively with the cd_ids (since those are for sure unique).

How can I achieve that latter goal ?

The .Net is very powerful and I did not use any ChemAxon API's in the past, so getting a hint would help me a lot to get to results in shorter time than trying to understand the complete API.

Best regards and best wishes for the upcoming weekend

Hans-Juergen
AKos GmbH

 

 

 

 

 

 

 

 

 

 

 

Hi Hans,

 

this is what we encapsulated in the new JChem.NET API (behind the scene), have you tried out the code Miklos sent?

https://www.chemaxon.com/forum/ftopic12576.html

We are also open-minded to a consultancy work to help you doing a project together for any customer.

If you also think that it would be not a bad idea to work together on a project, please let us know.

 

Viktor

 

check this link https://www.chemaxon.com/forum/ftopic12576.html. it will help as you requested