Re: [Cdk-devel] Fingerprinter statistics... (aka the First and Second Law of Chemoinformatics)

[Egon W. <ewi...@un...>]

On Thursday 08 February 2007 20:07:49 Egon Willighagen wrote:
> - will report on those slow structures later, I hope...

It are the following structures from ringBla.sdf.gz in 
cdk.modeling.builder3d.data: 
224, 889, 1328, 2414, 3307, 3419, 5141, 5377, 5411, 5553, 6053, 6130, 6331, 
6648, 6777, 7005, 8085, 8206, 8500, 8809, 8979, 9096, 9835, 10634

As given in that order in the attached PDF. Except for one disturbingly small 
structure, it are all large ring systems.

Egon

-- 
CUBIC
blog: http://chem-bla-ics.blogspot.com/