Re: [Cdk-user] Descriptors

[Egon W. <e.w...@sc...>]

On Thursday 24 March 2005 09:46 am, Matteo Floris wrote:
> >If so, it might be useful to state that in the qsar dictionary on the cdk
> >website or in the javadoc. If there is no convention yet, I consider it
> >important to think about this.
>
> the javadoc would be complete about implicit/explicit/to-add Hs (regarding
> descriptors that i developed), i'll check out if anything is missing.
> about the dictionary, i'm not quite sure if is a kind of informations that
> must be added to this dictionary... because is an internal parameter of the
> descriptor.

Depends... if the algorithm requires hydrogens to be explicitely present, then 
the dictionary should state this.

Egon