Hi Greg,
Thanks. I haven't started tests yet, so we'll see.
Best wishes,
Michal
On 17 Mar 2015 15:08, "Greg Landrum" <greg.land...@gmail.com> wrote:
> Hi Michal,
>
> On Tue, Mar 17, 2015 at 3:02 PM, Michal Krompiec <
> michal.kromp...@gmail.com> wrote:
>
>> Hello,
>>
>> I understand that the index for substructure searching is created by,
>> for example:
>>
>> create index molidx on mols using gist(m)
>>
>> where m is the molecule column in mols table. Is this correct?
>>
>
> yes, that's correct.
>
>
>> How do I select the type of fingerprint used for the index? I just
>> suspect that my dataset may require tweaking the fingerprint type for
>> best performance.
>>
>
> That's not configurable at the moment. If you would like to change the
> fingerprint for substructure screening, you would need to edit the source
> for the cartridge itself. I'm curious about what you think might need to be
> changed
>
> -greg
>
>
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