Hi,
I'm working on mychembl_20 and I have latest stable RDKit version
("Release_2015_03_1") installed and compiled as postgres cartridge.
Some facts:
1. All tests went fine, including tests for postgres extension.
2. Substructure (@>) and similarity (tanimoto_sml) searches are working fine.
Now I'm trying to execute this SQL statement:
SELECT COUNT(*)
FROM "mols_rdkit"
WHERE (m@='C');
This runs without errors but returns 0. It returns 0 for any SMILES
string, even if I know that the structure exists in the database.
Table "mold_rdkit" exists, is not empty and has column "m" (as I said,
substructure and similarity are working fine).
Am I doing something wrong? Is there anything I can do to verify if
the problem is related to RDKit or something else?
Kind regards,
Michał Nowotka
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