1 code implementation • 10 Jan 2019 • Lea Helmers, Franziska Horn, Franziska Biegler, Tim Oppermann, Klaus-Robert Müller
The evaluation results show that our automated approach, besides accelerating the search process, also improves the search results for prior art with respect to their quality.
no code implementations • NeurIPS 2012 • Grégoire Montavon, Katja Hansen, Siamac Fazli, Matthias Rupp, Franziska Biegler, Andreas Ziehe, Alexandre Tkatchenko, Anatole V. Lilienfeld, Klaus-Robert Müller
The accurate prediction of molecular energetics in chemical compound space is a crucial ingredient for rational compound design.