Package com.chemaxon.descriptors.metrics

Enum Class BinaryMetrics

java.lang.Object
java.lang.Enum<BinaryMetrics>
com.chemaxon.descriptors.metrics.BinaryMetrics
All Implemented Interfaces:
BinaryVectorComparator, MetricMetadata, Serializable, Comparable<BinaryMetrics>, java.lang.constant.Constable
@Beta @PublicAPI public enum BinaryMetrics extends Enum<BinaryMetrics> implements BinaryVectorComparator
Simple metrics suitable for finite length binary vectors.

Please note that this enum is marked with @Beta annotation, so it can be subject of incompatible changes or removal in later releases.

  • Enum Constant Details

    • MANHATTAN

      public static final BinaryMetrics MANHATTAN
      Manhattan distance.

      Binary positions with different values.

      See Also:

    • MANHATTAN_NORMALIZED

      public static final BinaryMetrics MANHATTAN_NORMALIZED
      Normalized Manhattan metric.

      The similarity/dissimilarity values range of the MANHATTAN normalized to the unit interval (0.0 - 1.0, including bounds).

    • BINARY_EUCLIDEAN

      public static final BinaryMetrics BINARY_EUCLIDEAN
      Euclidean distance.

      Square root of the sums of the difference squares.

      See Also:

    • BINARY_EUCLIDEAN_NORMALIZED

      public static final BinaryMetrics BINARY_EUCLIDEAN_NORMALIZED
      Normalized Euclidean distance.

      The similarity/dissimilarity values range of the BINARY_EUCLIDEAN normalized to the unit interval (0.0 - 1.0, including bounds).

    • BINARY_COMMONPART

      public static final BinaryMetrics BINARY_COMMONPART
      Commonly set bits.

      The count of bit positions which contains set bits is considered as the similarity value. Please note that this comparison yields non-zero and non-maximal dissimilarity for equal, non-empty descriptors.

    • BINARY_COMMONPART_NORMALIZED

      public static final BinaryMetrics BINARY_COMMONPART_NORMALIZED
      Common set bit ratio.

      The similarity/dissimilarity values range of the BINARY_COMMONPART normalized to the unit interval (0.0 - 1.0, including bounds).

    • BINARY_DICE

      public static final BinaryMetrics BINARY_DICE
      Dice's similarity measure.

      Similarity coefficient is twice the common part divided by the sum of components.

      When comparing all-zero binary fingerprint we return minimal similarity/maximal dissimilarity.

      See Also:

    • BINARY_TANIMOTO

      public static final BinaryMetrics BINARY_TANIMOTO
      Tanimoto coefficient.

      When comparing all-zero binary fingerprint we return minimal similarity/maximal dissimilarity in the current implementation.

      Please note that the triangle inequality holds for the Tanimoto distance; see Lipkus, AlanH.: A proof of the triangle inequality for the Tanimoto distance (Journal of Mathematical Chemistry, 1999, volume 26, pages 263-265)

      See Also:

    • PETKE

      public static final BinaryMetrics PETKE
      Petke or Braun-Blanquet similarity.

      Similarity is calculated by |Q & T| / max(|Q|, |T|).

      When comparing all-zero binary fingerprint we return minimal similarity/maximal dissimilarity in the current implementation.

      See Also:
      • "Sastry et al., J. Chem. Inf. Model. 2010, 50, 771-784"
      • "ISBN 978-3-662-44342-2, page 332."

    • SIMPSON

      public static final BinaryMetrics SIMPSON
      Simpson similarity.

      Similarity is calculated by |Q & T| / min(|Q|, |T|).

      When comparing all-zero binary fingerprint we return minimal similarity/maximal dissimilarity in the current implementation.

      See Also:
      • "ISBN 978-3-662-44342-2, page 332."

  • Method Details

    • values

      public static BinaryMetrics[] values()
      Returns an array containing the constants of this enum class, in the order they are declared.
      Returns:
      an array containing the constants of this enum class, in the order they are declared

    • valueOf

      public static BinaryMetrics valueOf(String name)
      Returns the enum constant of this class with the specified name. The string must match exactly an identifier used to declare an enum constant in this class. (Extraneous whitespace characters are not permitted.)
      Parameters:
      name - the name of the enum constant to be returned.
      Returns:
      the enum constant with the specified name
      Throws:
      IllegalArgumentException - if this enum class has no constant with the specified name
      NullPointerException - if the argument is null