Dear All,
I want to do some substructure match using MCS.
It seems that Sanitize is needed for MCS.
I met with the over valance error when using sanitize for some molecules.
Like the following one :
sa = Chem.MolFromSmiles('c1cocn1')
sa
On Jul 1, 2017, at 17:19, Changge Ji wrote:
> I want to do some substructure match using MCS.
> It seems that Sanitize is needed for MCS.
> I met with the over valance error when using sanitize for some molecules.
>
> Like the following one :
>
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