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FAME 2: Simple and Effective Machine Learning Model of Cytochrome P450 Regioselectivity.
Martin Sícho
Christina de Bruyn Kops
Conrad Stork
Daniel Svozil
Johannes Kirchmair
Published in:
J. Chem. Inf. Model. (2017)
Keyphrases
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machine learning
experimental data
statistical model
management system
computational model
probabilistic model
cost function
probability distribution
formal model
theoretical framework
input data
knowledge discovery
objective function
multiscale
high level
case study
genetic algorithm