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Genetic optimization of training sets for improved machine learning models of molecular properties

Type of publication Peer-reviewed
Publikationsform Original article (peer-reviewed)
Author Browning Nicholas, Ramakrishnan Raghunathan, von Lilienfeld O. Anatole, Rothlisberger Ursula,
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 J Phys Chem Lett
Page(s) 1351
Title of proceedings J Phys Chem Lett