mordred-descriptor/mordred

View on GitHub
examples/article/Code8.py

Summary

Maintainability
A
0 mins
Test Coverage
from rdkit import Chem

from mordred.SLogP import SLogP
from mordred.Lipinski import Lipinski

# Start Code 8
slogp = SLogP()
lipinski = Lipinski()
product_term = slogp * lipinski
print(str(product_term))
print(product_term(Chem.MolFromSmiles("c1ccccc1")))