Zobrazeno 1 - 2
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pro vyhledávání: '"Franke, Malte"'
Autor:
Gil, Victor Sabanza, Bran, Andres M., Franke, Malte, Schlama, Remi, Luterbacher, Jeremy S., Schwaller, Philippe
The prediction of chemical reactions has gained significant interest within the machine learning community in recent years, owing to its complexity and crucial applications in chemistry. However, model evaluation for this task has been mostly limited
Externí odkaz:
http://arxiv.org/abs/2312.09004
Autor:
van Gerwen P; Laboratory for Computational Molecular Design, Institute of Chemical Sciences and Engineering, École Polytechnique Fédérale de Lausanne 1015 Lausanne Switzerland clemence.corminboeuf@epfl.ch.; National Center for Competence in Research-Catalysis (NCCR-Catalysis), École Polytechnique Fédérale de Lausanne 1015 Lausanne Switzerland., Briling KR; Laboratory for Computational Molecular Design, Institute of Chemical Sciences and Engineering, École Polytechnique Fédérale de Lausanne 1015 Lausanne Switzerland clemence.corminboeuf@epfl.ch., Calvino Alonso Y; Laboratory for Computational Molecular Design, Institute of Chemical Sciences and Engineering, École Polytechnique Fédérale de Lausanne 1015 Lausanne Switzerland clemence.corminboeuf@epfl.ch., Franke M; Laboratory for Computational Molecular Design, Institute of Chemical Sciences and Engineering, École Polytechnique Fédérale de Lausanne 1015 Lausanne Switzerland clemence.corminboeuf@epfl.ch., Corminboeuf C; Laboratory for Computational Molecular Design, Institute of Chemical Sciences and Engineering, École Polytechnique Fédérale de Lausanne 1015 Lausanne Switzerland clemence.corminboeuf@epfl.ch.; National Center for Competence in Research-Catalysis (NCCR-Catalysis), École Polytechnique Fédérale de Lausanne 1015 Lausanne Switzerland.
Publikováno v:
Digital discovery [Digit Discov] 2024 Mar 07; Vol. 3 (5), pp. 932-943. Date of Electronic Publication: 2024 Mar 07 (Print Publication: 2024).
