Package com.chemaxon.calculations.solubility

Interface SolubilityResult

@PublicApi public interface SolubilityResult
Solubility prediction result.

  • Method Details

    • getMolecule

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

    • getSolubility

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

    • getSolubility

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

    • getSolubilityCategory

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

    • getSolubilityCategory

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