Evidence map›Paper›PMID 37117931›Full record

ReviewNature reviews. Chemistry2022

The case for data science in experimental chemistry: examples and recommendations.

Junko Yano, Kelly J Gaffney, John Gregoire, Linda Hung, Abbas Ourmazd, Joshua Schrier, James A Sethian, Francesca M Toma

Abstract readReview
PubMed Publisher
In one paragraph

Review in Nature reviews. Chemistry, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.

0numbers the graph read from it
0cells of the map it votes in
13citing 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

13 citing papers in PubMed.

  1. Article
  2. Article
  3. Review
  4. A Perspective intoThe journal of physical chemistry letters · 2026
    Review
  5. Carbohydrate Synthesis is Entering the Data-Driven Digital Era.Chemistry (Weinheim an der Bergstrasse, Germany) · 2025
    Review
  6. Article
  7. Review
  8. Article
  9. Article
  10. Accelerated chemical science with AI.Digital discovery · 2024
    Review
  11. Article
  12. The Materials Provenance Store.Scientific data · 2023
    Article
  13. Review
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

8 authors.

Junko YanoMolecular Biophysics and Integrated Bioimaging Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA. JYano@lbl.gov.ORCID http://orcid.org/0000-0001-6308-9071
Kelly J GaffneySLAC National Accelerator Laboratory, Menlo Park, CA, USA. kgaffney@slac.stanford.edu.ORCID http://orcid.org/0000-0002-0525-6465
John GregoireDivision of Engineering and Applied Science, California Institute of Technology, Pasadena, CA, USA. gregoire@caltech.edu.ORCID http://orcid.org/0000-0002-2863-5265
Linda HungAccelerated Materials Design and Discovery, Toyota Research Institute, Los Altos, CA, USA. linda.hung@tri.global.ORCID http://orcid.org/0000-0002-1578-6152
Abbas OurmazdUniversity of Wisconsin, Milwaukee, WI, USA. ourmazd@uwm.edu.ORCID http://orcid.org/0000-0001-9946-3889
Joshua SchrierFordham University, Department of Chemistry, The Bronx, NY, USA. jschrier@fordham.edu.ORCID http://orcid.org/0000-0002-2071-1657
James A SethianDepartment of Mathematics, University of California, Berkeley, CA, USA. sethian@berkeley.edu.ORCID http://orcid.org/0000-0002-7250-7789
Francesca M TomaChemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA. fmtoma@lbl.gov.ORCID http://orcid.org/0000-0003-2332-0798

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The physical sciences community is increasingly taking advantage of the possibilities offered by modern data science to solve problems in experimental chemistry and potentially to change the way we design, conduct and understand results from experiments. Successfully exploiting these opportunities involves considerable challenges. In this Expert Recommendation, we focus on experimental co-design and its importance to experimental chemistry. We provide examples of how data science is changing the way we conduct experiments, and we outline opportunities for further integration of data science and experimental chemistry to advance these fields. Our recommendations include establishing stronger links between chemists and data scientists; developing chemistry-specific data science methods; integrating algorithms, software and hardware to 'co-design' chemistry experiments from inception; and combining diverse and disparate data sources into a data network for chemistry research.

Identifiers

PMID37117931

What OpenQuestion holds

Textmetadata
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.