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CanopusPrediction

Container class that holds the CANOPUS compound class predictions for alle predictable compound classes. This is the full CANOPUS result.

Properties

Name Type Description Notes
classy_fire_classes List[CompoundClass] All predicted ClassyFire classes [optional]
npc_classes List[CompoundClass] All predicted NPC classes [optional]

Example

from PySirius.models.canopus_prediction import CanopusPrediction

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

# convert the object into a dict
canopus_prediction_dict = canopus_prediction_instance.to_dict()
# create an instance of CanopusPrediction from a dict
canopus_prediction_from_dict = CanopusPrediction.from_dict(canopus_prediction_dict)

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