Project Summary
DecoyFinder is a graphical tool which helps finding sets of decoy molecules for a given group of active ligands. It does so by finding molecules which have a similar number of rotational bonds, hydrogen bond acceptors, hydrogen bond donors, logP value and molecular weight, but are chemically different, which is defined by a maximum Tanimoto value threshold between active ligand and decoy molecule MACCS fingerprints. Optionally, a maximum Tanimoto value threshold can be set between decoys in order assure chemical diversity in the decoy set.
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- Project Links:
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- Code Locations:
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git://github.com/URVnutrigenomic...
- Licenses:
- GPLv3
- Similar Projects:
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- Managers:
- ssorgatem
In a Nutshell, DecoyFinder...
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took an estimated 1 years of effort (COCOMO model)
starting with its first commit in April, 2011
ending with its most recent commit 8 months ago
Activity
30 Day Summary Apr 22 2013 — May 22 2013
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12 Month Summary May 22 2012 — May 22 2013
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Copyright
©
2013
Black Duck Software, Inc.
and its contributors, Some Rights Reserved. Unless otherwise marked, this work is licensed under a
Creative Commons Attribution 3.0 Unported License
. Ohloh
®
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Black Duck Software, Inc.
in the United States and/or other jurisdictions. All other trademarks are the property of their respective holders.