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propertycalculator [2012/12/15 15:11] – created rkisspropertycalculator [2013/01/13 13:31] (current) flack
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 ====== Property calculator ====== ====== Property calculator ======
  
 +  * Create a physicochemical property profile for your compound in a second
 +  * Reject compounds with unsuitable logP, insufficient number of H-bond acceptors/donors, too many rotatable bonds, etc.
 +  * Prioritize compounds with highest ligand efficiency (low number of heavy atoms and logP)
propertycalculator.1355584281.txt.gz · Last modified: 2012/12/15 15:11 by rkiss