Modeling of molecular atomization energies using machine learning

Matthias Rupp, Alexandre Tkatchenko, Klaus-Robert Müller, Anatole von Lilienfeld. Modeling of molecular atomization energies using machine learning. J. Cheminformatics, 4(S-1):33, 2012. [doi]

Authors

Matthias Rupp

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Alexandre Tkatchenko

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Klaus-Robert Müller

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Anatole von Lilienfeld

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