On Tue, 31 Dec 2013 20:19:37 -0500
Mikolaj Kowalik wrote:
> n |CCNOCN |CCNCN | k
>
> 1 | 61 62 71 81 62 71 | 61 62 71 61 71 | 4
> 2 | 184 256 204 224 276 204 |
On Tue, 31 Dec 2013 06:58:12 +0100
Greg Landrum wrote:
> > LW algorithm is based on Morgan algorithm:
> >
> > 1) Initially, each atom is assigned an index i.e. an integer $V^{1}_{i}$
> > derived from its type and bond pattern (I know, it's rather vague but I'm
> > practically quoting the sources.
On Tue, Dec 31, 2013 at 1:32 AM, Mikolaj Kowalik wrote:
> Dear All,
>
> Firstly, a little disclaimer. The question I have may seem to be rather
> off-topic on that list, but thanks to RDKit's users community I have
> learned
> a lot of things regarding chemoinformatics in general, so I was hoping
Dear All,
Firstly, a little disclaimer. The question I have may seem to be rather
off-topic on that list, but thanks to RDKit's users community I have learned
a lot of things regarding chemoinformatics in general, so I was hoping to
find some help on topic not directly related to RDKit itself.
I
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