von Rudorff, Guido Falk https://orcid.org/0000-0001-7987-4330
Heinen, Stefan N https://orcid.org/0000-0001-9382-2342
Bragato, Marco https://orcid.org/0000-0001-5633-3101
von Lilienfeld, O Anatole https://orcid.org/0000-0001-7419-0466
Funding for this research was provided by:
Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung (07540_167186 NFP 75 Big Data)
H2020 European Research Council (ERC-CoG grant QML)
Swiss National Supercomputing Centre (s848)
Article Title: Thousands of reactants and transition states for competing E2 and S N 2 reactions
Journal Title: Machine Learning: Science and Technology
Article Type: paper
Copyright Information: © 2020 The Author(s). Published by IOP Publishing Ltd
Publication dates
Date Received: 2020-05-31
Date Accepted: 2020-07-21
Online publication date: 2020-10-28