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Machine Learning for Quantum Mechanical Properties of Atoms in Molecules

Type of publication Peer-reviewed
Publikationsform Original article (peer-reviewed)
Author M. Rupp R. Ramakrishnan O. A. von Lilienfeld,
Project From atomistic exploration of chemical compound space towards bio-molecular design: Quantum mechanical rational compound design (QM-RCD)
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Original article (peer-reviewed)

Journal Journal of Physical Chemistry Letters
Title of proceedings Journal of Physical Chemistry Letters

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