Chemist-aligned retrosynthesis by ensembling diverse inductive bias models

Krzysztof Maziarz, Guoqing Liu, Felix Pultar, John Gardner, Tobias Gensch, Jean Helie, Hubert Misztela, Austin Tripp, Junren Li, Aleksei Kornev, Piotr Gaiński, Holger Hoefling, Mike Fortunato, Rishi Gupta, Andrew Baxter, Darren L. Poole, Jennifer M. Elward, Adrian Krzyzanowski, Peter Pogány, Stephen D. Pickett, Ian D. Wall, Christopher M. Bishop, Philip G. Humphreys, James A. Lumley, Mario P. Wiesenfeldt, Marwin H. S. Segler

Open source

DOI: 10.1038/s41586-026-11160-9
Published: 2026-09-21
Container: Nature
Publisher: Springer Science and Business Media LLC
Open access: unknown

Credibility signals

uncertain Score 64/100 under policy 1.0.0. This is a metadata assessment, not a judgment of the paper's conclusions.

Show all credibility signals

supportingDOI registered: A matching record was returned by Crossref. Source: Crossref; license: CC0 metadata
supportingDOI resolves: A matching record was returned by Crossref. Source: Crossref; license: CC0 metadata
not scoredDirectory of Open Access Journals: No matching DOAJ record was present in this response. No allow-list match; this is not evidence of low credibility. Source: DOAJ; license: CC0
not scoredMEDLINE indexed: Not checked or no result supplied; no credibility inference made. Source: No authority result supplied; license: Unknown
not scoredOpenAlex core source: Not checked or no result supplied; no credibility inference made. Source: No authority result supplied; license: Unknown
not scoredKnown publisher allow-list: Not checked or no result supplied; no credibility inference made. Source: No authority result supplied; license: Unknown
not scoredROR affiliation: Not checked or no result supplied; no credibility inference made. Source: No authority result supplied; license: Unknown
not scoredRetraction Watch retraction: No retraction notice matched this DOI in the deployed snapshot. No matching event found; coverage may be incomplete. Source: Retraction Watch; license: CC BY 4.0
not scoredRetraction Watch expression of concern: No expression of concern notice matched this DOI in the deployed snapshot. No matching event found; coverage may be incomplete. Source: Retraction Watch; license: CC BY 4.0
not scoredRetraction Watch correction: No correction notice matched this DOI in the deployed snapshot. No matching event found; coverage may be incomplete. Source: Retraction Watch; license: CC BY 4.0
not scoredRetraction Watch reinstatement: No reinstatement notice matched this DOI in the deployed snapshot. No matching event found; coverage may be incomplete. Source: Retraction Watch; license: CC BY 4.0
not scoredOpen access status: Not checked or no result supplied; no credibility inference made. Source: No authority result supplied; license: Unknown
not scoredPublication license: Not checked or no result supplied; no credibility inference made. Source: No authority result supplied; license: Unknown
not scoredPublication version: A publication version was supplied but is not scored. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
supportingMetadata completeness: All 6 scored descriptive metadata groups are present. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer

Cite this work

BibTeX

@article{allodium:10.1038/s41586-026-11160-9,
  title = {Chemist-aligned retrosynthesis by ensembling diverse inductive bias models},
  author = {Krzysztof Maziarz and Guoqing Liu and Felix Pultar and John Gardner and Tobias Gensch and Jean Helie and Hubert Misztela and Austin Tripp and Junren Li and Aleksei Kornev and Piotr Gaiński and Holger Hoefling and Mike Fortunato and Rishi Gupta and Andrew Baxter and Darren L. Poole and Jennifer M. Elward and Adrian Krzyzanowski and Peter Pogány and Stephen D. Pickett and Ian D. Wall and Christopher M. Bishop and Philip G. Humphreys and James A. Lumley and Mario P. Wiesenfeldt and Marwin H. S. Segler},
  year = {2026},
  journal = {Nature},
  doi = {10.1038/s41586-026-11160-9},
  url = {https://doi.org/10.1038/s41586-026-11160-9}
}

RIS

TY  - JOUR
TI  - Chemist-aligned retrosynthesis by ensembling diverse inductive bias models
AU  - Krzysztof Maziarz
AU  - Guoqing Liu
AU  - Felix Pultar
AU  - John Gardner
AU  - Tobias Gensch
AU  - Jean Helie
AU  - Hubert Misztela
AU  - Austin Tripp
AU  - Junren Li
AU  - Aleksei Kornev
AU  - Piotr Gaiński
AU  - Holger Hoefling
AU  - Mike Fortunato
AU  - Rishi Gupta
AU  - Andrew Baxter
AU  - Darren L. Poole
AU  - Jennifer M. Elward
AU  - Adrian Krzyzanowski
AU  - Peter Pogány
AU  - Stephen D. Pickett
AU  - Ian D. Wall
AU  - Christopher M. Bishop
AU  - Philip G. Humphreys
AU  - James A. Lumley
AU  - Mario P. Wiesenfeldt
AU  - Marwin H. S. Segler
PY  - 2026
JO  - Nature
DO  - 10.1038/s41586-026-11160-9
UR  - https://doi.org/10.1038/s41586-026-11160-9
ER  -

APA

Maziarz, K., Liu, G., Pultar, F., Gardner, J., Gensch, T., Helie, J., Misztela, H., Tripp, A., Li, J., Kornev, A., Gaiński, P., Hoefling, H., Fortunato, M., Gupta, R., Baxter, A., Poole, D. L., Elward, J. M., Krzyzanowski, A., Pogány, P., Pickett, S. D., Wall, I. D., Bishop, C. M., Humphreys, P. G., Lumley, J. A., Wiesenfeldt, M. P., & Segler, M. H. S. (2026). Chemist-aligned retrosynthesis by ensembling diverse inductive bias models. Nature. https://doi.org/10.1038/s41586-026-11160-9

Source records

crossref · retrieved 2026-09-25T14:22:54.912Z