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mordred-descriptor/mordred

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examples/article/Code3.py

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from rdkit import Chem

from mordred.RingCount import RingCount

# Start Code 3
rings50 = RingCount(order=50)
print(rings50(Chem.MolFromSmiles("c1ccccc1")), rings50(Chem.MolFromSmiles("C1CCCCCC1")))