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Non-covalent interactions across organic and biological subsets of chemical space: Physics-based potentials parametrized from machine learning

Type of publication Peer-reviewed
Publikationsform Original article (peer-reviewed)
Author Bereau Tristan, DiStasio Robert A., Tkatchenko Alexandre, von Lilienfeld O. Anatole,
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 The Journal of Chemical Physics
Volume (Issue) 148(24)
Page(s) 241706 - 241706
Title of proceedings The Journal of Chemical Physics
DOI 10.1063/1.5009502

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