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CompoundClasses

Container class that holds the most likely compound class for different levels of each ontology for a certain Compound/Feature/FormulaCandidate/PredictedFingerprint.

Properties

Name Type Description Notes
npc_pathway CompoundClass [optional]
npc_superclass CompoundClass [optional]
npc_class CompoundClass [optional]
classy_fire_lineage List[CompoundClass] Most likely ClassyFire lineage from ordered from least specific to most specific class classyFireLineage.get(classyFireLineage.size() - 1) gives the most specific ClassyFire compound class annotation [optional]
classy_fire_alternatives List[CompoundClass] Alternative ClassyFire classes with high probability that do not fit into the linage [optional]

Example

from PySirius.models.compound_classes import CompoundClasses

# TODO update the JSON string below
json = "{}"
# create an instance of CompoundClasses from a JSON string
compound_classes_instance = CompoundClasses.from_json(json)
# print the JSON string representation of the object
print(CompoundClasses.to_json())

# convert the object into a dict
compound_classes_dict = compound_classes_instance.to_dict()
# create an instance of CompoundClasses from a dict
compound_classes_from_dict = CompoundClasses.from_dict(compound_classes_dict)

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