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QSAR of benzene derivatives: comparison of classical descriptors, quantum theoretic parameters and flip regression, exemplified by phenylalkylamine hallucinogens.
Brian W. Clare
Published in:
J. Comput. Aided Mol. Des. (2002)
Keyphrases
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quantum computation
maximum likelihood
linear regression model
parameter estimation
quantum mechanics
linear regression
parameter values
parameter settings
d objects
input data
expectation maximization
regression model
parameter space
linear model
gaussian processes