Package | Description |
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org.openscience.cdk.smiles |
Class and Description |
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SmilesGenerator
SMILES [Weininger, David, SMILES, a Chemical Language and Information System. 1.
Introduction to Methodology and Encoding Rules, Journal of Chemical Information and Computer
Sciences, 1988, 28:31-36, Weininger, David and Weininger, Arthur and Weininger, Joseph
L., SMILES 2. Algorithm for Generation of Unique SMILES
Notation, Journal of Chemical Information and Computer
Sciences, 1989, 29:97-101] provides a compact representation of
chemical structures and reactions.
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