Interface SolubilityResult
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@PublicAPI public interface SolubilityResult
Solubility prediction result.
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Method Summary
All Methods Instance Methods Abstract Methods Modifier and Type Method Description Molecule
getMolecule()
Returns the input molecule.double
getSolubility()
Returns the solubility value.double
getSolubility(SolubilityUnit unit)
Returns the solubility value.SolubilityCategory
getSolubilityCategory()
Returns the solubility category.SolubilityCategory
getSolubilityCategory(SolubilityCategories categories)
Returns the solubility category.
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Method Detail
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getMolecule
Molecule getMolecule()
Returns the input molecule.- Returns:
- the input molecule.
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getSolubility
double getSolubility()
Returns the solubility value.- Returns:
- the solubility value in logS unit
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getSolubility
double getSolubility(SolubilityUnit unit)
Returns the solubility value.- Parameters:
unit
- solubility unit, see:SolubilityUnit
- Returns:
- the solubility value
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getSolubilityCategory
SolubilityCategory getSolubilityCategory()
Returns the solubility category.- Returns:
- the solubility category
- See Also:
DefaultSolubilityCategory
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getSolubilityCategory
SolubilityCategory getSolubilityCategory(SolubilityCategories categories)
Returns the solubility category.- Parameters:
categories
- solubility categories- Returns:
- the solubility category
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