Re: [Cdk-qassurance] Re: Descriptor QA

[Rajarshi G. <rx...@ps...>]

On Sat, 2006-01-07 at 03:52 +0100, Uli Fechner wrote:
> >>- Take the complete set #3 of the ZINC database
> >>- calculate the CATS descriptor for all compounds in set #3
> > 
> > 
> > I think Egon raised this previously - is CATS going to be open source?
> 
> Most likely yes, even though I cannot say when. This is the only 
> non-open-source program and it does not make me real happy either. But I 
> do not have a better idea; so even though this might not be the best way 
> to go it is the best I came up with.

Given that we will be using this descriptor just for selection of a
dataset, which will then be publicly available, I think it won't be too
much of a problem

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