Interface SolubilityResult


  • @PublicAPI
    public interface SolubilityResult
    Solubility prediction result.
    • Method Detail

      • 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​(SolubilityCategories categories)
        Returns the solubility category.
        Parameters:
        categories - solubility categories
        Returns:
        the solubility category