RESEARCH PAPER · Digital Discovery · 2026
Towards sustainable exploration of chemical spaces with machine learning
Leonardo Rafael Medrano Sandonas, David Balcells, Tom Barnowsky, Anton S. Bochkarev, Jacqueline Cole, Volker L. Deringer, Werner Dobrautz, Adrian Ehrenhofer, Thorben Frank, Pascal Friederich, Rico Friedrich, Janine George, Luca M. Ghiringhelli, Alejandra Hinostroza Caldas, Veronika Jurásková, Hannes Kneiding, Yury Lysogorskiy, Johannes T. Margraf, Hanna Türk, O. Anatole von Lilienfield, Milica Todorović, Alexandre Tkatchenko, Mariana Rossi, Gianaurelio Cuniberti
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