Re: [Rdkit-discuss] SMARTS queries using FP in Postgres Cartridge

[Greg L. <gre...@gm...>]

On Tue, Mar 6, 2012 at 1:05 PM, JP <jea...@in...> wrote:
> Ugly as it may sound, in this case, it is probably faster to do separate
> "like" or postgres regex (i.e. ~) on the SMILES string column (rather than
> on the mol) for this.

That's one approach. Another would be to add a new function to the
cartridge that counts the number of non-standard atoms (in essence
what you're doing) and then add that as a column to a properties
table.

-greg