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A Stepwise Approach for Defining the Applicability Domain of SAR and QSAR Models.
Sabcho Dimitrov
Gergana Dimitrova
Todor Pavlov
Nadezhda Dimitrova
Grace Patlewicz
Jay Niemela
Ovanes Mekenyan
Published in:
J. Chem. Inf. Model. (2005)
Keyphrases
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statistical models
genetic algorithm
multiscale
prior knowledge
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model selection
parameter estimation
complex systems
real time
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machine learning
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