Re: [Cdk-devel] Support for SMARTS extensions by MOE?

[Egon W. <ego...@gm...>]

On Wed, Oct 15, 2008 at 2:20 AM, Rajarshi Guha <rg...@in...> wrote:
>
> On Oct 6, 2008, at 9:15 AM, Egon Willighagen wrote:
>
>> 3. [#X]
>
> This is now support in 1.2.x

Brilliant!

I'll update my pKa branch to include all SMARTS from the paper in Java
Decision Tree format... I also saw the work on on ^bla for
hybridization... [i] will be a bit more tricky, as we would need to do
a some work on delocalization detection for that... but I rather like
this concept, and just love to see that supported too... Miguel wrote
a delocalization detector already and will ping him on how to use
it...

Egon

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