- All Known Subinterfaces:
@Beta @PublicAPI public interface Descriptor extends Guarded, SerializableDescriptor represents a molecular descriptor calculated by a specific
DescriptorGeneratorinstance for a specific structure.
Note that descriptors generated by different
DescriptorGeneratorinstances 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
DescriptorGeneratoris capable of creating a bare-only representation.
Please note that this interface is marked with
Betaannotation, so it can be subject of incompatible changes or removal in later releases.