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Modelling dissociation constants of organic acids by local molecular parameters.
Haiying Yu
Ralph Kühne
Ralf-Uwe Ebert
Gerrit Schüürmann
Published in:
J. Cheminformatics (2010)
Keyphrases
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parameter values
maximum likelihood estimation
maximum likelihood
input parameters
parameter estimation
parameter space
parameter selection
multiscale
objective function
control system
hidden markov models
design parameters