Interface Descriptor

  • All Superinterfaces:
    Guarded, Serializable
    All Known Subinterfaces:
    BinaryVectorDescriptor, Cfp, DRShapeDescriptor, Ecfp, FloatVectorDescriptor, Maccs, PharmacophoreFP, ShapeDescriptor

    public interface Descriptor
    extends Guarded, Serializable
    Descriptor represents a molecular descriptor calculated by a specific DescriptorGenerator instance for a specific structure.

    Note that descriptors generated by different DescriptorGenerator instances are considered incompatible.

    Note that a Descriptor object optionally can contain additional data not needed for comparison. Such descriptors are referenced as rich descriptors. Descriptors containing only data required for comparison are referenced as bare descriptors. (Reference to the guard object (which is often the associated DescriptorGenerator) is considered as data required for comparison, so bare descriptors also contain it.) When these two representations are available, the associated DescriptorGenerator is capable of creating a bare-only representation.

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