Re: [Rdkit-discuss] name generator

[Markus S. <sit...@he...>]

Hi Sergio,

there may be random entries in the Resolver database behind
http://cactus.nci.nih.gov/chemical/structure but definitely
nothing systematic.

Markus

On Wed, 28 Aug 2013 07:54:26 -0400, Sergio Martinez Cuesta  
<ser...@gm...> wrote:

> Thanks Greg,
>
> I agree, it certainly works for molecules, however I am testing whether  
> cactus is able to provide names to molecular >fragments as well. Things  
> like methyl phosphinite (COP) are named after that.
> See:
> http://cactus.nci.nih.gov/chemical/structure/COP/iupac_name
>
> Do you have any hints on systematically naming molecular fragments?
>
>
>
>
>
>
>
>
> On 28 August 2013 05:53, Greg Landrum <gre...@gm...> wrote:
>>
>> On Tue, Aug 27, 2013 at 10:32 PM, Sergio Martinez Cuesta  
>> <ser...@gm...> wrote:
>>> Oc(:[nH2]):[nH2] does not seem to be in the database
>>>
>>> http://cactus.nci.nih.gov/chemical/structure/Oc(:[nH2]):[nH2]/iupac_name
>>>
>>> molcovert does not generate a name either.
>>
>> That's not actually a stable molecule. it is, at best, a piece of a  
>> molecule. OC(N)N works fine with the NCI >>lookup.
>> What molecule are you trying to name?
>>
>>>> -greg