Hello all,
Currently I'm doing a project with Tversky searching in substructure mode
and use smiles for creating fingerprints.
For most molecules I get the correct result but there are some molecules
where I get an overflow of falsely predicted substructure molecules. In
brief, I get a large
hope this helps.
>
>
> Brian Kelley
>
> On Dec 12, 2016, at 11:29 AM, Axel Rudling <axru6...@gmail.com> wrote:
>
> Hello all,
>
> Currently I'm doing a project with Tversky searching in substructure mode
> and use smiles for creating fingerprints.
>
Hello,
I've been benchmarking different softwares for substructure searching of
molecules. From what I can tell, RDKits substructureMatch appears to do the
job. I have been looking around the documentation and this forum for a
description of how it actually works. As I understand it, it does the
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