Evidence map›Paper›PMID 39843581›Full record

ArticleNature biotechnology2025

Quantum-computing-enhanced algorithm unveils potential KRAS inhibitors.

Mohammad Ghazi Vakili, Christoph Gorgulla, Jamie Snider, AkshatKumar Nigam, Dmitry Bezrukov, Daniel Varoli, Alex Aliper, Daniil Polykovsky, Krishna M Padmanabha Das, Huel Cox Iii and 15 more

Abstract read
In one paragraph

Article in Nature biotechnology, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 32 papers.

0numbers the graph read from it
0cells of the map it votes in
32citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

32 citing papers in PubMed.

  1. Article
  2. Technical review of artificial intelligence in TCR-T therapy.Journal of the National Cancer Center · 2026
    Review
  3. Review
  4. Review
  5. Article
  6. Quantum computing applications in drug discovery.Briefings in bioinformatics · 2026
    Review
  7. Review
  8. Review
  9. Article
  10. Review
  11. Review
  12. Review
  13. Article
  14. Review
  15. Review
  16. Review
  17. Review
  18. Article
  19. Review
  20. KRASAVA-An Expert System for Virtual Screening of KRAS G12D Inhibitors.International journal of molecular sciences · 2025
    Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

25 authors.

Mohammad Ghazi VakiliDepartment of Computer Science, University of Toronto, Toronto, Ontario, Canada.
Christoph GorgullaDepartment of Structural Biology, St. Jude Children's Research Hospital, Memphis, TN, USA. christoph.gorgulla@stjude.org.ORCID http://orcid.org/0000-0001-6986-5270
Jamie SniderDonnelly Centre, Temerty Faculty of Medicine, University of Toronto, Toronto, Ontario, Canada.
AkshatKumar NigamDepartment of Computer Science, Stanford University, Stanford, CA, USA. akshat98@stanford.edu.
Dmitry BezrukovInsilico Medicine AI Limited, Abu Dhabi, UAE.
Daniel VaroliZapata AI, Boston, MA, USA.
Alex AliperInsilico Medicine AI Limited, Abu Dhabi, UAE.
Daniil PolykovskyInsilico Medicine Canada, Inc., Montreal, Québec, Canada.ORCID http://orcid.org/0000-0002-0899-8368
Krishna M Padmanabha DasDepartment of Cancer Biology, Dana-Farber Cancer Institute, Boston, MA, USA.
Huel Cox IiiDepartment of Biological Chemistry and Molecular Pharmacology, Harvard Medical School, Harvard University, Boston, MA, USA.
Anna LyakishevaDonnelly Centre, Temerty Faculty of Medicine, University of Toronto, Toronto, Ontario, Canada.
Ardalan Hosseini MansobDonnelly Centre, Temerty Faculty of Medicine, University of Toronto, Toronto, Ontario, Canada.ORCID http://orcid.org/0009-0005-4651-5362
Zhong YaoDonnelly Centre, Temerty Faculty of Medicine, University of Toronto, Toronto, Ontario, Canada.
Lela BitarDonnelly Centre, Temerty Faculty of Medicine, University of Toronto, Toronto, Ontario, Canada.
Danielle TahoulasDonnelly Centre, Temerty Faculty of Medicine, University of Toronto, Toronto, Ontario, Canada.ORCID http://orcid.org/0009-0007-7542-1802
Dora ČerinaDonnelly Centre, Department of Biochemistry, Temerty Faculty of Medicine, University of Toronto, Toronto, Ontario, Canada.ORCID http://orcid.org/0000-0002-1116-0136
Eugene RadchenkoInsilico Medicine AI Limited, Abu Dhabi, UAE.ORCID http://orcid.org/0000-0002-2091-7022
Xiao DingInsilico Medicine AI Limited, Abu Dhabi, UAE.
Jinxin LiuInsilico Medicine AI Limited, Abu Dhabi, UAE.
Fanye MengInsilico Medicine AI Limited, Abu Dhabi, UAE.
Feng RenInsilico Medicine AI Limited, Abu Dhabi, UAE.ORCID http://orcid.org/0000-0001-9157-9182
Yudong CaoAQI, Inc., Boston, MA, USA.
Igor StagljarDonnelly Centre, Temerty Faculty of Medicine, University of Toronto, Toronto, Ontario, Canada. igor.stagljar@utoronto.ca.ORCID http://orcid.org/0000-0002-5260-3327
Alán Aspuru-GuzikDepartment of Computer Science, University of Toronto, Toronto, Ontario, Canada. aspuru@utoronto.ca.ORCID http://orcid.org/0000-0002-8277-4434
Alex ZhavoronkovInsilico Medicine AI Limited, Abu Dhabi, UAE. alex@insilicomedicine.com.ORCID http://orcid.org/0000-0001-7067-8966

Funding

United States Department of Defense | Defense Advanced Research Projects Agency (DARPA) HR0011-23-3-0017
6 · The paper itself

Abstract

We introduce a quantum-classical generative model for small-molecule design, specifically targeting KRAS inhibitors for cancer therapy. We apply the method to design, select and synthesize 15 proposed molecules that could notably engage with KRAS for cancer therapy, with two holding promise for future development as inhibitors. This work showcases the potential of quantum computing to generate experimentally validated hits that compare favorably against classical models.

Indexed as

AlgorithmsAntineoplastic AgentsProto-Oncogene Proteins p21(ras)Drug DesignHumansNeoplasmsQuantum TheoryAntineoplastic AgentsKRAS protein, humanProto-Oncogene Proteins p21(ras)

Identifiers

PMID39843581
PMCPMC12700792

What OpenQuestion holds

Textmetadata
LicenceCC BY-NC-ND
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.