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propertycalculator [2012/12/15 16:11]
rkiss created
propertycalculator [2013/01/13 14:31] (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.txt ยท Last modified: 2013/01/13 14:31 by flack