Package | Description |
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org.openscience.cdk.qsar.descriptors.bond |
Modifier and Type | Class and Description |
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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 |
IPBondLearningDescriptor
This class returns the ionization potential of a Bond.
|