Evidence map›Paper›PMID 40661852›Full record

ArticleGigaByte (Hong Kong, China)2025

Galaxy QCxMS for straightforward semi-empirical quantum mechanical EI-MS prediction.

Wudmir Y Rojas, Zargham Ahmad, Julia Jakiela, Helge Hecht, Jana Klánová, Elliott J Price

Abstract read
In one paragraph

Article in GigaByte (Hong Kong, China), 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.

Wudmir Y RojasFaculty of Science, Masaryk University, RECETOX, Kotlářská 2, 60200, Brno, Czech Republic.ORCID https://orcid.org/0000-0001-7036-9987
Zargham AhmadFaculty of Science, Masaryk University, RECETOX, Kotlářská 2, 60200, Brno, Czech Republic.ORCID https://orcid.org/0000-0002-6096-224X
Julia JakielaSchool of Chemistry, University of Edinburgh, Edinburgh, UK.ORCID https://orcid.org/0009-0001-2017-8805
Helge HechtFaculty of Science, Masaryk University, RECETOX, Kotlářská 2, 60200, Brno, Czech Republic.ORCID https://orcid.org/0000-0001-6744-996X
Jana KlánováFaculty of Science, Masaryk University, RECETOX, Kotlářská 2, 60200, Brno, Czech Republic.ORCID https://orcid.org/0000-0002-8818-5307
Elliott J PriceFaculty of Science, Masaryk University, RECETOX, Kotlářská 2, 60200, Brno, Czech Republic.ORCID https://orcid.org/0000-0001-5691-7000

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

High-performance computing (HPC) environments are crucial for computational research, including quantum chemistry (QC), but pose challenges for non-expert users. Researchers with limited computational knowledge struggle to utilise domain-specific software and access mass spectra prediction for

Identifiers

PMID40661852
PMCPMC12257954

What OpenQuestion holds

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LicenceCC BY
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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.