Multiple query molecules in jc_compare - broken?

Hi,

We're running JChem 5.12.3.  It appears that support for multiple query structures in jc_compare is no longer working.  A single SMILES string provided as a query structure works fine.  If two or more smiles strings are provided, delimited by comma, an "ORA-20101: Error parsing SMILES string" error is returned.

Are multiple query structures still supported by jc_compare?

Thanks,

Mark

Hi Mark,

I don't think this feature ever worked with comma-delmited lists. The delimitation is dictated by our core structure import/export functions (which I think would be somewhat more appropriately called "unmarshalling/marshalling" -- which is less ambiguous in this context, but still not ideal -- as it is about building in memory program objects from byte streams and vica versa). This delimitation -- for most popular character-based representation formats -- is the new line character. The following works for me:

set echo on

call jchem_core_pkg.use_password('ciril');

create table wombat (

  id number primary key,

  structure varchar2(4000)

      );

insert into wombat (id, structure) values(1, 'Brc1ccccc1');

insert into wombat (id, structure) values(2, 'Clc1ccccc1');

insert into wombat (id, structure) values(3, 'c1ccccc1');

create index jcxwombat on wombat(structure) indextype is r051203.jc_idxtype;

select id from wombat where jc_compare(structure, 'c1ccccc1', 't:s') = 1;

select id from wombat where jc_compare(structure, 'Clc1ccccc1

Brc1ccccc1', 't:s') = 1;

Peter