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Model Selection Based on Structural Similarity-Method Description and Application to Water Solubility Prediction.
Ralph Kühne
Ralf-Uwe Ebert
Gerrit Schüürmann
Published in:
J. Chem. Inf. Model. (2006)
Keyphrases
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model selection
structural similarity
cross validation
parameter estimation
bayesian methods
objective function
mixture model
sample size
prior information
hyperparameters
decision trees
mutual information
em algorithm
structural information
error estimation
bayesian information criterion