On Fri, Dec 1, 2017 at 7:24 PM, Tim Dudgeon <tdudgeon...@gmail.com> wrote:

> If upgrading PostgreSQL to a new version of the RDKit cartridge is any
> maintenance needed?
>
> Either rebuild the indexes or regenerate the fingerprints and rebuild the
> indexes?
>

It depend on the release. Usually you don't need to, but there are cases
where it's required.
I normally try to capture this in the release notes.
For example, this was in the *important* section of the 2017.03.1 release
notes:

- The fix for bug #879 changes the definition of the layered fingerprint.
  This means that all database columns using layered fingerprints as well as
  all substructure search indices should be rebuilt.


Having said that, bug fixes that affect things like aromaticity perception
could change some fingerprints and I don't always think to capture a
specific note about changing fingerprints in these cases.

It's generally a good idea to go through the release notes before an
upgrade in any case.

If the database isn't too big, regenerating fingerprints and indices isn't
a terrible idea... just to be safe. :-)

-greg
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