Re: [Rdkit-discuss] random compound

[Yingfeng W. <ywa...@gm...>]

Dear Greg,

Could you please help me to check whether function RandomizeMol(mol) is
able to generate a random compound?

http://www.rdkit.org/docs/api/rdkit.Chem.Randomize-module.html#RandomizeMol

If so, could you please give me more details?

Thanks.


On Tue, Jul 2, 2013 at 11:22 AM, Greg Landrum <gre...@gm...>wrote:

>
> On Tue, Jul 2, 2013 at 5:20 PM, Yingfeng Wang <ywa...@gm...> wrote:
>
>> If I have the formula, is RDKit able to generate a random compound based
>> on the given formula?
>>
>
> It's not, but it is kind of an interesting problem to think about.[1]
>
> -greg
> [1] Note: this is absolutely *not* me saying that I'm going to do it. :-)
>
>