O. Anatole von Lilienfeld
Orcid: 0000-0001-7419-0466Affiliations:
- University of Toronto, Canada
- National Center for Computational Design and Discovery of Novel Materials (MARVEL), Basel, Switzerland
- University of Basel, Department of Chemistry, Switzerland
- Argonne National Laboratory, Lemont, IL, USA
According to our database1,
O. Anatole von Lilienfeld
authored at least 12 papers
between 2012 and 2024.
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Bibliography
2024
Data-Error Scaling in Machine Learning on Natural Discrete Combinatorial Mutation-prone Sets: Case Studies on Peptides and Small Molecules.
CoRR, 2024
2023
Improved decision making with similarity based machine learning: applications in chemistry.
Mach. Learn. Sci. Technol., December, 2023
Mach. Learn. Sci. Technol., June, 2023
2021
An assessment of the structural resolution of various fingerprints commonly used in machine learning.
Mach. Learn. Sci. Technol., 2021
2020
Neural networks and kernel ridge regression for excited states dynamics of CH2NH$_2^+$: From single-state to multi-state representations and multi-property machine learning models.
Mach. Learn. Sci. Technol., 2020
Thousands of reactants and transition states for competing E2 and S$_\mathrm{N}$2 reactions.
Mach. Learn. Sci. Technol., 2020
Mach. Learn. Sci. Technol., 2020
Mach. Learn. Sci. Technol., 2020
Mach. Learn. Sci. Technol., 2020
Wasserstein metric for improved quantum machine learning with adjacency matrix representations.
Mach. Learn. Sci. Technol., 2020
2012
J. Cheminformatics, 2012
Proceedings of the Advances in Neural Information Processing Systems 25: 26th Annual Conference on Neural Information Processing Systems 2012. Proceedings of a meeting held December 3-6, 2012