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Package CHEM :: Package CombiCDB :: Module ReactionScore :: Class FreeEnergyNoResonance
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Class FreeEnergyNoResonance



  MolScore --+    
             |    
CompositeScore --+
                 |
                FreeEnergyNoResonance

Predicts molecule stability primarily based on various enthalpy contributors. Composite score object that just sums up different contributing score objects. Will not consider contributions from resonance delocalization.

Presently returns in units of kcal / mol

Instance Methods [hide private]
 
__init__(self)

Inherited from CompositeScore: score

Inherited from MolScore: __call__

Class Variables [hide private]

Inherited from CompositeScore: scoreFunctors

Method Details [hide private]

__init__(self)
(Constructor)

 
Overrides: CompositeScore.__init__

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