.com]
Sent: Wednesday, November 23, 2016 11:42 AM
To: Alexander Klenner-Bajaja
Cc:
rdkit-discuss@lists.sourceforge.net<mailto:rdkit-discuss@lists.sourceforge.net>
Subject: Re: [Rdkit-discuss] smarts vs smiles database queries and explicit
hydrogens
Hi Alex,
The new version of the cartridge ha
, November 23, 2016 11:42 AM
> To: Alexander Klenner-Bajaja
> Cc: rdkit-discuss@lists.sourceforge.net
> Subject: Re: [Rdkit-discuss] smarts vs smiles database queries and explicit
> hydrogens
>
> Hi Alex,
>
> The new version of the cartridge has some capabilities tha
.@gmail.com]
> *Sent:* Wednesday, November 23, 2016 11:42 AM
> *To:* Alexander Klenner-Bajaja
> *Cc:* rdkit-discuss@lists.sourceforge.net
> *Subject:* Re: [Rdkit-discuss] smarts vs smiles database queries and
> explicit hydrogens
>
>
>
> Hi Alex,
>
>
>
> The new
-discuss] smarts vs smiles database queries and explicit
hydrogens
Hi Alex,
The new version of the cartridge has some capabilities that, I think, address
this.
There's a blog post about this:
http://rdkit.blogspot.com/2016/07/tuning-substructure-queries-ii.html
but the short version is tha
Hi Alex,
The new version of the cartridge has some capabilities that, I think,
address this.
There's a blog post about this: http://rdkit.blogspot.com/
2016/07/tuning-substructure-queries-ii.html
but the short version is that you can do the kind of queries it seems like
you want to do quite simpl
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