Package chemaxon.sss.screen

Class Similarity

java.lang.Object
chemaxon.sss.screen.Similarity
@PublicApi public class Similarity extends Object
Calculates the similarity of two bit strings.

  • Constructor Summary

    Constructors
    Constructor
    Description
    Similarity()
     

  • Method Summary

    Modifier and Type
    Method
    Description
    static double
    getTanimoto(byte[] bitstring1, byte[] bitstring2)
    Calculates the Tanimoto coefficient of the two bit strings.
    static double
    getTanimoto(byte[] bitstring1, byte[] bitstring2, int bytesToCompare)
    Calculates the Tanimoto coefficient of the two bit strings.
    static double
    getTanimoto(int[] bitstring1, int[] bitstring2, int intsToCompare)
    Calculates the Tanimoto coefficient of the two bit strings.
    double
    Tanimoto()
    Deprecated, for removal: This API element is subject to removal in a future version. 

    Methods inherited from class java.lang.Object

    clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

  • Constructor Details

    • Similarity

      public Similarity()

  • Method Details

    • Tanimoto

      @Deprecated(forRemoval=true) @SubjectToRemoval(date=JUL_01_2025) public double Tanimoto()
      Deprecated, for removal: This API element is subject to removal in a future version.
      Calculates tanimoto.
      Returns:
      the tanimoto coefficient

    • getTanimoto

      public static double getTanimoto(byte[] bitstring1, byte[] bitstring2)
      Calculates the Tanimoto coefficient of the two bit strings. The calculated value is between 0 and 1. The higher the value the more similar are the bit strings. All bits in the byte arrays are used. The length of the byte arrays has to be equal.
      Parameters:
      bitstring1 - left operand
      bitstring2 - right operand
      Returns:
      the tanimoto coefficient

    • getTanimoto

      public static double getTanimoto(byte[] bitstring1, byte[] bitstring2, int bytesToCompare)
      Calculates the Tanimoto coefficient of the two bit strings. The calculated value is between 0 and 1. The higher the value the more similar are the bit strings.
      Parameters:
      bitstring1 - left operand
      bitstring2 - right operand
      bytesToCompare - the number of bytes to use in the calculcation.
      Returns:
      the tanimoto coefficient
      Since:
      JChem 3.1

    • getTanimoto

      public static double getTanimoto(int[] bitstring1, int[] bitstring2, int intsToCompare)
      Calculates the Tanimoto coefficient of the two bit strings. The calculated value is between 0 and 1. The higher the value the more similar are the bit strings.
      Parameters:
      bitstring1 - left operand
      bitstring2 - right operand
      intsToCompare - the number of bytes to use in the calculcation.
      Returns:
      the tanimoto coefficient
      Since:
      JChem 3.1