Re: [Cdk-devel] Our ZINC quality assurance data set...

[<fl...@cr...>]

Dear developers,

regarding the recent discussion about the quality assurance set,
let me suggest an alternative to Zinc as source of the qa molecules: MMsINC.

MMsINC is our free web-oriented database of commercially available compounds,
that is characterized by an InChI-based uniqueness.

MMsINc reference:  
http://csdl2.computer.org/persagen/DLAbsToc.jsp?resourcePath=/dl/proceedings/&toc=comp/proceedings/biotechno/2008/3191/00/3191toc.xml&DOI=10.1109/BIOTECHNO.2008.37

MMsINC website: http://mms.dsfarm.unipd.it/mmsinc/search/

Cheers,


Matteo Floris

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