Package | Description |
---|---|
org.openscience.cdk.qsar.descriptors.bond |
Modifier and Type | Class and Description |
---|---|
class |
AtomicNumberDifferenceDescriptor
Describes the imbalance in atomic number of the IBond.
|
class |
BondPartialPiChargeDescriptor
The calculation of bond-pi Partial charge is calculated
determining the difference the Partial Pi Charge on atoms
A and B of a bond.
|
class |
BondPartialSigmaChargeDescriptor
The calculation of bond-sigma 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 bond-Polarizability is calculated determining the
difference the Sigma electronegativity on atoms A and B of a bond.
|
class |
IPBondLearningDescriptor
Deprecated.
|
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