On Thu, Jul 17, 2014 at 10:04 AM, Nicholas Firth <nicholas.fi...@icr.ac.uk>
wrote:
> Thanks Greg,
>
> That's exactly what I needed.
>
Excellent.
> I now have a question though, using modulo arithmetic means each
> environment only sets one bit in the FP (checking the code this looks
> true). Is there a reason why we only set a single bit with each
> environment? I mean we in the greater sense, has anyone ever looked at
> denser Morgan FP's (with a fixed radius)?
I've never tried it. What would be the motivation for doing so? This would,
in general, increase similarity values for molecules, but it will also
likely leads to more bit collisions in the fingerprints.
-greg
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