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 <cedric.more...@firmenich.com> 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 > > ********************************************************************** > DISCLAIMER > This email and any files transmitted with it, including replies and > forwarded copies (which may contain alterations) subsequently transmitted > from Firmenich, are confidential and solely for the use of the intended > recipient. The contents do not represent the opinion of Firmenich except to > the extent that it relates to their official business. > ********************************************************************** > > > ------------------------------------------------------------------------------ > > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss > > ------------------------------------------------------------------------------ _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
