Re: [Rdkit-discuss] maccs keys

[Adrian S. <ma...@ad...>]

MACCS keys are a set of 166 structural key descriptors (public
version) in which each bit is associated with a SMARTS pattern. The
SMARTS pattern are somewhere defined in the RDKit distribution.

http://www.dalkescientific.com/writings/NBN/fingerprints.html

Adrian

On Tue, May 4, 2010 at 16:10, Cedric MORETTI
<Ced...@fi...> wrote:
> Hello all,
>
> In the book “Getting Started with RDKIT in Python “in the chapter 5.2 “Other
> Fingerprints” there are written “MACCS KEYS”,
>
> I had searched on the WEB all the definition at this keys but I didn’t
> found.
>
> Somebody have a link where I can find the definitions at these keys?
>
> Tks Cedric
>
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