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Smiles2Monomers: a link between chemical and biological structures for polymers.
Yoann Dufresne
Laurent Noé
Valérie Leclère
Maude Pupin
Published in:
J. Cheminformatics (2015)
Keyphrases
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chemical compounds
drug discovery
molecular level
data mining
biological data
biological systems
molecular biology
data sets
machine learning
artificial intelligence
feature selection
similarity measure
link structure
structural features
chemical reactions