Evidence map›Paper›PMID 41845540›Full record

ArticleJournal of cheminformatics2026

A light-weight Graph Neural Network for the prediction of

Dimitri Domnjuk, Jana de Wiljes, Robert Geitner

Abstract read
In one paragraph

Article in Journal of cheminformatics, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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

0 citing papers in PubMed.

No citing paper in PubMed yet.

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

3 authors.

Dimitri DomnjukInstitute of Chemistry and Bioengineering, Group of Physical Chemistry/Catalysis, Technische Universität Ilmenau, Weimarer Str. 32, 98693, Ilmenau, Germany.
Jana de WiljesInstitute of Mathematics, Group of Mathematics of Data Science, Technische Universität Ilmenau, Weimarer Str. 25, 98693, Ilmenau, Germany. jana.de-wiljes@tu-ilmenau.de.
Robert GeitnerInstitute of Chemistry and Bioengineering, Group of Physical Chemistry/Catalysis, Technische Universität Ilmenau, Weimarer Str. 32, 98693, Ilmenau, Germany. robert.geitner@tu-ilmenau.de.

Funding

Bundesministerium für Bildung und Forschung 16TTP133Carl-Zeiss-Stiftung KI-MSO-ODeutsche Forschungsgemeinschaft 318763901 - SFB1294HORIZON EUROPE European Research Council 101188131 UrbanAIR
6 · The paper itself

Abstract

Graph Neural Networks (GNNs) are powerful tools for predicting chemical shifts in Nuclear Magnetic Resonance (NMR) spectroscopy. In this paper, we improve the state-of-the-art mean absolute error (MAE) on the Ilm-NMR-P31 dataset for the prediction of

Indexed as

Graph Neural NetworkHOSENMRPhosphorousPredictionTransfer learning

Identifiers

PMID41845540
PMCPMC13112750

What OpenQuestion holds

Textmetadata
LicenceCC BY
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.