Evidence map›Paper›PMID 38239898›Full record

ReviewDigital discovery2024

Accelerated chemical science with AI.

Seoin Back, Alán Aspuru-Guzik, Michele Ceriotti, Ganna Gryn'ova, Bartosz Grzybowski, Geun Ho Gu, Jason Hein, Kedar Hippalgaonkar, Rodrigo Hormázabal, Yousung Jung and 11 more

Abstract readReview
In one paragraph

Review in Digital discovery, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 papers.

0numbers the graph read from it
0cells of the map it votes in
16citing 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

16 citing papers in PubMed.

  1. Article
  2. Article
  3. Article
  4. Review
  5. Article
  6. Article
  7. Article
  8. Designing a large language model for chemists.Patterns (New York, N.Y.) · 2025
    Article
  9. Article
  10. Article
  11. Article
  12. Article
  13. Article
  14. Review
  15. Review
  16. 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

21 authors.

Seoin BackDepartment of Chemical and Biomolecular Engineering, Institute of Emergent Materials, Sogang University Seoul Republic of Korea sback@sogang.ac.kr.ORCID https://orcid.org/0000-0003-4682-0621
Alán Aspuru-GuzikDepartments of Chemistry, Computer Science, University of Toronto St. George Campus Toronto ON Canada.
Michele CeriottiLaboratory of Computational Science and Modeling (COSMO), École Polytechnique Fédérale de Lausanne Lausanne Switzerland.ORCID https://orcid.org/0000-0003-2571-2832
Ganna Gryn'ovaHeidelberg Institute for Theoretical Studies (HITS gGmbH) 69118 Heidelberg Germany.ORCID https://orcid.org/0000-0003-4229-939X
Bartosz GrzybowskiCenter for Algorithmic and Robotized Synthesis (CARS), Institute for Basic Science (IBS) Ulsan Republic of Korea.ORCID https://orcid.org/0000-0001-6613-4261
Geun Ho GuDepartment of Energy Engineering, Korea Institute of Energy Technology (KENTECH) Naju 58330 Republic of Korea.
Jason HeinDepartment of Chemistry, University of British Columbia Vancouver BC V6T 1Z1 Canada.ORCID https://orcid.org/0000-0002-4345-3005
Kedar HippalgaonkarSchool of Materials Science and Engineering, Nanyang Technological University 50 Nanyang Avenue Singapore 639798 Singapore.ORCID https://orcid.org/0000-0002-1270-9047
Rodrigo HormázabalLG AI Research Seoul Republic of Korea.ORCID https://orcid.org/0000-0003-3744-5401
Yousung JungDepartment of Chemical and Biomolecular Engineering, KAIST Daejeon Republic of Korea.ORCID https://orcid.org/0000-0003-2615-8394
Seonah KimDepartment of Chemistry, Colorado State University 1301 Center Avenue Fort Collins CO 80523 USA.ORCID https://orcid.org/0000-0001-9846-7140
Woo Youn KimDepartment of Chemistry, KAIST Daejeon Republic of Korea.ORCID https://orcid.org/0000-0001-7152-2111
Seyed Mohamad MoosaviChemical Engineering & Applied Chemistry, University of Toronto Toronto Ontario M5S 3E5 Canada.
Juhwan NohChemical Data-Driven Research Center, Korea Research Institute of Chemical Technology Daejeon 34114 Republic of Korea.
Changyoung ParkLG AI Research Seoul Republic of Korea.
Joshua SchrierDepartment of Chemistry, Fordham University The Bronx NY 10458 USA.ORCID https://orcid.org/0000-0002-2071-1657
Philippe SchwallerLaboratory of Artificial Chemical Intelligence (LIAC) & National Centre of Competence in Research (NCCR) Catalysis, École Polytechnique Fédérale de Lausanne Lausanne Switzerland.
Koji TsudaGraduate School of Frontier Sciences, The University of Tokyo Kashiwa Chiba 277-8561 Japan.ORCID https://orcid.org/0000-0002-4288-1606
Tejs VeggeDepartment of Energy Conversion and Storage, Technical University of Denmark 301 Anker Engelunds vej, Kongens Lyngby Copenhagen 2800 Denmark.ORCID https://orcid.org/0000-0002-1484-0284
O Anatole von LilienfeldAcceleration Consortium and Vector Institute for Artificial Intelligence Toronto ON M5S 1M1 Canada.ORCID https://orcid.org/0000-0001-7419-0466
Aron WalshDepartment of Materials, Imperial College London London SW7 2AZ UK.ORCID https://orcid.org/0000-0001-5460-7033

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

In light of the pressing need for practical materials and molecular solutions to renewable energy and health problems, to name just two examples, one wonders how to accelerate research and development in the chemical sciences, so as to address the time it takes to bring materials from initial discovery to commercialization. Artificial intelligence (AI)-based techniques, in particular, are having a transformative and accelerating impact on many if not most, technological domains. To shed light on these questions, the authors and participants gathered in person for the ASLLA Symposium on the theme of 'Accelerated Chemical Science with AI' at Gangneung, Republic of Korea. We present the findings, ideas, comments, and often contentious opinions expressed during four panel discussions related to the respective general topics: 'Data', 'New applications', 'Machine learning algorithms', and 'Education'. All discussions were recorded, transcribed into text using Open AI's Whisper, and summarized using LG AI Research's EXAONE LLM, followed by revision by all authors. For the broader benefit of current researchers, educators in higher education, and academic bodies such as associations, publishers, librarians, and companies, we provide chemistry-specific recommendations and summarize the resulting conclusions.

Identifiers

PMID38239898
PMCPMC10793638

What OpenQuestion holds

Textmetadata
LicenceCC BY-NC
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.