Chem.QSAR.JPlogP

This computes the logP in accordance with the JLogP module in
the CDK.

This was published in the
[J. Chem. Inf.](https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0316-5)

Definitions

jpLogPContrib : Cast e Elem => Cast b BondOrder => IGraph k (AromBond b) (Atom e Charge p r HCount t c l) -> Fin k -> Maybe Double

  Computes the logP contribution for a single atom and its
  implicit hydrogen atoms.
  
  Returns `Nothing` in case the atom is of an unsupported element
  or connectivity.

Totality: total
Visibility: export

jpLogP : Cast e Elem => Cast b BondOrder => IGraph k (AromBond b) (Atom e Charge p r HCount t c l) -> Maybe Double

  Sums up the logP contributions for all atoms in a molecule.
  
  Returns `Nothing` in case `jpLogPContrib` returns `Nothing` for
  at least one atom.

Totality: total
Visibility: export