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Description:
jucombinator 0.3.0
Create all possible substitutions of a set of functional groups on a skeleton
structure.
Usage
import jucombinator
combinations = jucombinator.substitute(
skeleton="c1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1",
substituents=["N(C)C", "O", "N", "S", "C", "F"],
n=2,
)
Intallation
pip install jucombinator
License
For personal and professional use. You cannot resell or redistribute these repositories in their original state.
Customer Reviews
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