Evidence map›Paper›PMID 40557783›Full record

ArticleJournal of computational chemistry2025

Simplistic Software for Analyzing Mass Spectra and a Mixed Experimental-Theoretical Database for Identifying Poisonous and Explosive Substances.

Denis S Tikhonov, Mikhail A Kalinin, Alexander A Maryewski, Aleksandr A Avdoshin, Olgert Dallakyan, Nikita A Vasilev, Egor A Eliseev, Mandy Koch, Vladimir V Rybkin, Denis G Artiukhin

Abstract read
PubMed Full text at PMC Publisher
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. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing 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

1 citing paper in PubMed.

  1. 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

10 authors.

Denis S TikhonovDeutsches Elektronen-Synchrotron DESY, Hamburg, Germany.ORCID https://orcid.org/0000-0003-3167-3104
Mikhail A KalininInstitute of Chemistry, Martin Luther University Halle-Wittenberg, Halle (Saale), Germany.ORCID https://orcid.org/0000-0002-0056-4813
Alexander A MaryewskiInstitute of Physical Chemistry (IPC), Karlsruhe Institute of Technology, Karlsruhe, Germany.ORCID https://orcid.org/0000-0002-7390-1075
Aleksandr A AvdoshinIndependent researcher.ORCID https://orcid.org/0000-0002-3874-4545
Olgert DallakyanInstitute of Chemical Physics NAS RA, Yerevan, Armenia.ORCID https://orcid.org/0000-0001-9394-3566
Nikita A VasilevIndependent researcher.ORCID https://orcid.org/0000-0002-2935-1694
Egor A EliseevIndependent researcher.ORCID https://orcid.org/0009-0003-4497-5731
Mandy KochInstitute of Chemistry, Martin Luther University Halle-Wittenberg, Halle (Saale), Germany.
Vladimir V RybkinHQS Quantum Simulations GmbH, Karlsruhe, Germany.ORCID https://orcid.org/0000-0001-5136-6035
Denis G ArtiukhinInstitut für Chemie und Biochemie, Freie Universität Berlin, Berlin, Germany.ORCID https://orcid.org/0000-0002-0130-954X

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

A recent increase in targeted attacks using chemical warfare agents by dictators and authoritarian regimes against politicians, journalists, and other civilians is a major concern. To aid the civil investigators in identifying poisonous substances in such cases, we developed an algorithm and a lightweight and simple-to-use software,

Indexed as

databasemass spectrametricmolecular dynamicssubstance identification

Identifiers

PMID40557783
PMCPMC12188633

What OpenQuestion holds

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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.