Package chemaxon.calculations.solubility

Class SolubilityResult

java.lang.Object
chemaxon.calculations.solubility.SolubilityResult
@PublicApi public final class SolubilityResult extends Object
Solubility prediction result.

  • Constructor Details

    • SolubilityResult

      public SolubilityResult(Molecule molecule, double intrinsicSolubility)

  • Method Details

    • getMolecule

      public Molecule getMolecule()
      Returns the input molecule.
      Returns:
      the input molecule.

    • getSolubility

      public double getSolubility()
      Returns the solubility value.
      Returns:
      the solubility value in logS unit

    • getSolubility

      public double getSolubility(SolubilityUnit unit)
      Returns the solubility value.
      Parameters:
      unit - solubility unit, see: SolubilityUnit
      Returns:
      the solubility value

    • getSolubilityCategory

      public SolubilityCategory getSolubilityCategory()
      Returns the solubility category.
      Returns:
      the solubility category
      See Also:

    • getSolubilityCategory

      public SolubilityCategory getSolubilityCategory(SolubilityCategories categories)
      Returns the solubility category.
      Parameters:
      categories - solubility categories
      Returns:
      the solubility category