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Torsion Library Reloaded: A New Version of Expert-Derived SMARTS Rules for Assessing Conformations of Small Molecules.
Wolfgang Guba
Agnes Meyder
Matthias Rarey
Jérôme Hert
Published in:
J. Chem. Inf. Model. (2016)
Keyphrases
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human experts
domain experts
association rules
protein structure
expert knowledge
decision rules
rule discovery
rule learning
production rules
rule sets
small number
domain knowledge
expert systems
data mining
rule extraction
data sets
database