Evidence map›Paper›PMID 40035157›Full record

ArticleJournal of computational chemistry2025

Predicting Molecular Energies of Small Organic Molecules With Multi-Fidelity Methods.

Vivin Vinod, Dongyu Lyu, Marcel Ruth, Peter R Schreiner, Ulrich Kleinekathöfer, Peter Zaspel

Abstract read
In one paragraph

Article in Journal of computational chemistry, 2025. 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

6 authors.

Vivin VinodSchool of Mathematics and Natural Sciences, University of Wuppertal, Wuppertal, Germany.ORCID https://orcid.org/0000-0001-6218-5053
Dongyu LyuSchool of Science, Constructor University, Bremen, Germany.ORCID https://orcid.org/0000-0001-8333-3422
Marcel RuthInstitute of Organic Chemistry, Justus Liebig University, Giessen, Germany.ORCID https://orcid.org/0000-0001-9880-9956
Peter R SchreinerInstitute of Organic Chemistry, Justus Liebig University, Giessen, Germany.ORCID https://orcid.org/0000-0002-3608-5515
Ulrich KleinekathöferSchool of Science, Constructor University, Bremen, Germany.ORCID https://orcid.org/0000-0002-6114-7431
Peter ZaspelSchool of Mathematics and Natural Sciences, University of Wuppertal, Wuppertal, Germany.ORCID https://orcid.org/0000-0002-7028-6580

Funding

Deutsche Forschungsgemeinschaft KL 1299/25-1Deutsche Forschungsgemeinschaft Schr 597/41-1Deutsche Forschungsgemeinschaft ZA 1175/3-1Deutsche Forschungsgemeinschaft ZA 1175/4-1
6 · The paper itself

Abstract

Multi-fidelity methods in machine learning (ML) have seen increasing usage for the prediction of quantum chemical properties. These methods, such as

Indexed as

atmopsheric chemistrycost efficiencycoupled clusterdelta learningdensity functional theorymachine learningmulti‐fidelity dataorganic chemistryquantum chemistrysparse data

Identifiers

PMID40035157
PMCPMC11877263

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.