Package  Description 

org.openscience.cdk.qsar  
org.openscience.cdk.qsar.descriptors.bond 
Modifier and Type  Class and Description 

class 
AbstractBondDescriptor
Abstract bond descriptor class with helper functions for descriptors
that require the whole molecule to calculate the descriptor values,
which in turn need to be cached for all bonds, so that they can be
retrieved one by one.

Modifier and Type  Class and Description 

class 
AtomicNumberDifferenceDescriptor
Describes the imbalance in atomic number of the IBond.

class 
BondPartialPiChargeDescriptor
The calculation of bondpi Partial charge is calculated
determining the difference the Partial Pi Charge on atoms
A and B of a bond.

class 
BondPartialSigmaChargeDescriptor
The calculation of bondsigma Partial charge is calculated
determining the difference the Partial Sigma Charge on atoms
A and B of a bond.

class 
BondPartialTChargeDescriptor
The calculation of bond total Partial charge is calculated
determining the difference the Partial Total Charge on atoms
A and B of a bond.

class 
BondSigmaElectronegativityDescriptor
The calculation of bondPolarizability is calculated determining the
difference the Sigma electronegativity on atoms A and B of a bond.

class 
IPBondLearningDescriptor
Deprecated.

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