I'm very interested to find an open source maximum common substructure
"matcher" - and I was actually planning to look at vflib for the purpose
of writing one. Can your matcher be expanded to do that? I would really
appreciate it then!
Igor
On Fri, 2009-12-11 at 11:48 +0100, ernst-georg.sch...@bayerbbs.com
wrote:
> I have written an experimental substructure and exact matcher based on the
> VF2 algorithm and the libvf library (igraph seems posssible too but
> requires a rewrite).
>
> It currently is substantially (3x - 10x) slower than
> SmartsPattern.Match(), but can do exact matching on the graph level and
> allows more control over what is 'exact' than comparing canonical SMILES
> or InChI strings.
>
> If somebody is interested, I'll put it somewhere on the web for review.
>
> regards,
>
> Ernst-Georg
>
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