Evidence map›Paper›PMID 41642594›Full record

ReviewChemical reviews2026

General-Purpose Models for the Chemical Sciences: LLMs and Beyond.

Nawaf Alampara, Anagha Aneesh, Martiño Ríos-García, Adrian Mirza, Mara Schilling-Wilhelmi, Ali Asghar Aghajani, Meiling Sun, Gordan Prastalo, Kevin Maik Jablonka

Abstract readReview
In one paragraph

Review in Chemical reviews, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.

0numbers the graph read from it
0cells of the map it votes in
4citing 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

4 citing papers in PubMed.

  1. Article
  2. Review
  3. Assay2Mol: Large Language Model-based Drug Design Using BioAssay Context.Proceedings of the Conference on Empirical Methods in Natural Language Processing. Conference on Empirical Methods in Natural Language Processing · 2025
    Article
  4. 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

9 authors.

Nawaf AlamparaLaboratory of Organic and Macromolecular Chemistry (IOMC), Friedrich Schiller University Jena, Humboldtstrasse 10, 07743 Jena, Germany.ORCID 0009-0001-7697-7315
Anagha AneeshLaboratory of Organic and Macromolecular Chemistry (IOMC), Friedrich Schiller University Jena, Humboldtstrasse 10, 07743 Jena, Germany.
Martiño Ríos-GarcíaLaboratory of Organic and Macromolecular Chemistry (IOMC), Friedrich Schiller University Jena, Humboldtstrasse 10, 07743 Jena, Germany.ORCID 0000-0003-1507-4048
Adrian MirzaHIPOLE Jena (Helmholtz Institute for Polymers in Energy Applications Jena), Lessingstrasse 12-14, 07743 Jena, Germany.
Mara Schilling-WilhelmiLaboratory of Organic and Macromolecular Chemistry (IOMC), Friedrich Schiller University Jena, Humboldtstrasse 10, 07743 Jena, Germany.ORCID 0009-0007-4392-5918
Ali Asghar AghajaniLaboratory of Organic and Macromolecular Chemistry (IOMC), Friedrich Schiller University Jena, Humboldtstrasse 10, 07743 Jena, Germany.ORCID 0000-0002-1318-9311
Meiling SunLaboratory of Organic and Macromolecular Chemistry (IOMC), Friedrich Schiller University Jena, Humboldtstrasse 10, 07743 Jena, Germany.ORCID 0000-0001-8124-6579
Gordan PrastaloHIPOLE Jena (Helmholtz Institute for Polymers in Energy Applications Jena), Lessingstrasse 12-14, 07743 Jena, Germany.ORCID 0009-0004-5505-568X
Kevin Maik JablonkaLaboratory of Organic and Macromolecular Chemistry (IOMC), Friedrich Schiller University Jena, Humboldtstrasse 10, 07743 Jena, Germany.ORCID 0000-0003-4894-4660

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Data-driven techniques have a large potential to transform and accelerate the chemical sciences. However, chemical sciences also pose the unique challenge of very diverse, small, fuzzy data sets that are difficult to leverage in conventional machine learning approaches. A new class of models, which can be summarized under the term general-purpose models (GPMs) such as large language models, has shown the ability to solve tasks they have not been directly trained on, and to flexibly operate with low amounts of data in different formats. In this review, we discuss the fundamental building principles of GPMs and review recent and emerging applications of those models in the chemical sciences. While many of these applications are still in the prototype phase, we expect that the increasing interest in GPMs will make many of them mature in the coming years.

Identifiers

PMID41642594
PMCPMC12947623

What OpenQuestion holds

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Registered trials

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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.