[Cdk-devel] [ cdk-Patches-3088173 ] Implementation of the Fmf descriptor

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Patches item #3088173, was opened at 2010-10-15 11:37
Message generated for change (Tracker Item Submitted) made by rajarshi
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Category: master
Group: Needs Review
Status: Open
Resolution: None
Priority: 5
Private: No
Submitted By: Rajarshi Guha (rajarshi)
Assigned to: Nobody/Anonymous (nobody)
Summary: Implementation of the Fmf descriptor

Initial Comment:
The descriptor is described in http://dx.doi.org/10.1021/jm1008456 and is an approach to characterizing molecular complexity based on the Murcko framework present in the molecule. The descriptor is the ratio of heavy atoms in the framework to the total number of heavy atoms in the molecule

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