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

Class Summary Class Description AtomicNumberDifferenceDescriptor Describes the imbalance in atomic number of the IBond.BondPartialPiChargeDescriptor The calculation of bondpi Partial charge is calculated determining the difference the Partial Pi Charge on atoms A and B of a bond.BondPartialSigmaChargeDescriptor The calculation of bondsigma 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 bondPolarizability is calculated determining the difference the Sigma electronegativity on atoms A and B of a bond.IPBondLearningDescriptor Deprecated.