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The Torsion Library: Semiautomated Improvement of Torsion Rules with SMARTScompare.
Patrick Penner
Wolfgang Guba
Robert Schmidt
Agnes Meyder
Martin Stahl
Matthias Rarey
Published in:
J. Chem. Inf. Model. (2022)
Keyphrases
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semi automated
planar curves
fully automated
rule sets
differential geometry
production rules
decision rules
databases
attribute values
free energy
data sets
case based reasoning
association rules
case study
inference engine
feature selection
active databases
rule discovery