Class FastMolecularComplexityCalculator
- java.lang.Object
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- com.actelion.research.chem.prediction.FastMolecularComplexityCalculator
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public class FastMolecularComplexityCalculator extends java.lang.Object
This is a fast version of the MolecularComplexityCalculator in the com.actelion.chem.properties.complexity package. It determines the number of distinct fragments within the given molecule up to a bod count of 7.
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Constructor Summary
Constructors Constructor Description FastMolecularComplexityCalculator()
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Method Summary
All Methods Static Methods Concrete Methods Modifier and Type Method Description static float
assessComplexity(StereoMolecule mol)
Ambiguous bonds are normalized.
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Method Detail
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assessComplexity
public static float assessComplexity(StereoMolecule mol)
Ambiguous bonds are normalized.- Parameters:
mol
-- Returns:
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