Machine learning in chemical reaction space
نویسندگان
چکیده
منابع مشابه
Machine Learning of Molecular Electronic Properties in Chemical Compound Space
Grégoire Montavon,1 Matthias Rupp,2 Vivekanand Gobre,3 Alvaro Vazquez-Mayagoitia,4 Katja Hansen,3 Alexandre Tkatchenko,3, 5, ∗ Klaus-Robert Müller,1, 6, † and O. Anatole von Lilienfeld4, ‡ 1Machine Learning Group, Technical University of Berlin, Franklinstr 28/29, 10587 Berlin, Germany 2Institute of Pharmaceutical Sciences, ETH Zurich, 8093 Zürich, Switzerland 3Fritz-Haber-Institut der Max-Plan...
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ژورنال
عنوان ژورنال: Nature Communications
سال: 2020
ISSN: 2041-1723
DOI: 10.1038/s41467-020-19267-x