Package org.openscience.cdk.qsar.descriptors.bond

Class Summary

AtomicNumberDifferenceDescriptor	Describes the imbalance in atomic number of the IBond.
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.
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.
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.
BondSigmaElectronegativityDescriptor	The calculation of bond-Polarizability is calculated determining the difference the Sigma electronegativity on atoms A and B of a bond.
IPBondLearningDescriptor	This class returns the ionization potential of a Bond.