Package com.actelion.research.chem.prediction
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Class Summary Class Description CLogPPredictor DruglikenessPredictor DruglikenessPredictorWithIndex DrugScoreCalculator Created by rufenec on 26/10/15.FastMolecularComplexityCalculator This is a fast version of the MolecularComplexityCalculator in the com.actelion.chem.properties.complexity package.GlobularityCalculator IncrementTable IncrementTableWithIndex MolecularPropertyHelper MolecularShapeCalculator ParameterizedStringList PolarSurfaceAreaPredictor This class predicts the topological polar surface area (TPSA) of a molecule as a sum of contributions of its polar atom-types.SolubilityPredictor TotalSurfaceAreaPredictor ToxicityPredictor