Uses of Interface
org.openscience.cdk.qsar.IBondDescriptor
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Packages that use IBondDescriptor Package Description org.openscience.cdk.qsar org.openscience.cdk.qsar.descriptors.bond -
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Uses of IBondDescriptor in org.openscience.cdk.qsar
Classes in org.openscience.cdk.qsar that implement IBondDescriptor Modifier and Type Class 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. -
Uses of IBondDescriptor in org.openscience.cdk.qsar.descriptors.bond
Classes in org.openscience.cdk.qsar.descriptors.bond that implement IBondDescriptor Modifier and Type Class 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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