Navigating chemical space: multi-level Bayesian optimization with hierarchical coarse-graining
Crossref DOI link: https://doi.org/10.1039/D5SC03855C
Published Online: 2025
Update policy: https://doi.org/10.1039/rsc_crossmark_policy
Walter, Luis J. https://orcid.org/0009-0000-0113-6215
Bereau, Tristan https://orcid.org/0000-0001-9945-1271
Funding for this research was provided by:
Deutsche Forschungsgemeinschaft (EXC 2181/1–390900948)
Klaus Tschira Stiftung
Version of Record valid from 2025-07-30
