Evidence map›Paper›PMID 38910862›Full record

ReviewACS measurement science au2024

Recent Developments in Machine Learning for Mass Spectrometry.

Armen G Beck, Matthew Muhoberac, Caitlin E Randolph, Connor H Beveridge, Prageeth R Wijewardhane, Hilkka I Kenttämaa, Gaurav Chopra

Abstract readReview
In one paragraph

Review in ACS measurement science au, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 45 papers.

0numbers the graph read from it
0cells of the map it votes in
45citing 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

45 citing papers in PubMed.

  1. Review
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  11. Prediction of KPC-producingJournal of clinical microbiology · 2026
    Article
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  17. Review
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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

7 authors.

Armen G BeckDepartment of Chemistry, Purdue University, 560 Oval Drive, West Lafayette, Indiana 47907, United States.ORCID https://orcid.org/0009-0006-2193-0807
Matthew MuhoberacDepartment of Chemistry, Purdue University, 560 Oval Drive, West Lafayette, Indiana 47907, United States.
Caitlin E RandolphDepartment of Chemistry, Purdue University, 560 Oval Drive, West Lafayette, Indiana 47907, United States.
Connor H BeveridgeDepartment of Chemistry, Purdue University, 560 Oval Drive, West Lafayette, Indiana 47907, United States.
Prageeth R WijewardhaneDepartment of Chemistry, Purdue University, 560 Oval Drive, West Lafayette, Indiana 47907, United States.ORCID https://orcid.org/0000-0002-9781-3053
Hilkka I KenttämaaDepartment of Chemistry, Purdue University, 560 Oval Drive, West Lafayette, Indiana 47907, United States.ORCID https://orcid.org/0000-0001-8988-6984
Gaurav ChopraDepartment of Chemistry, Purdue University, 560 Oval Drive, West Lafayette, Indiana 47907, United States.ORCID https://orcid.org/0000-0003-0942-7898

Funding

Transgenic Mouse Core Facility Shared Resource (TMCF-SR)P30CA023168 · NCI · PURDUE UNIVERSITY WEST LAFAYETTE · PI ANDREW D MESECAR · 1985 to 2026
$43.4M
Discovery & Synthesis Chemputer: An intelligent universal system for automated chemical synthesis and discovery across different hardware and scalesUG3TR004136 · NCATS · UNIVERSITY OF GLASGOW · PI CRONIN, LEE · 2022 to 2023
$1.6M
Development of a high throughput system for molecular imaging of different cell types in mouse brain tissuesRF1MH128866 · NIMH · PURDUE UNIVERSITY · PI CHOPRA, GAURAV, LASKIN, JULIA · 2021 to 2021
$1.5M
Chemical instruments-aware distributed blockchain based open AI platform to accelerate drug discoveryU18TR004146 · NCATS · PURDUE UNIVERSITY · PI CHOPRA, GAURAV, JAYACHANDRAN, GUHA · 2022 to 2023
$1.1M
NCATS NIH HHS U18 TR004146NCATS NIH HHS UG3 TR004136NCI NIH HHS P30 CA023168NIMH NIH HHS RF1 MH128866
6 · The paper itself

Abstract

Statistical analysis and modeling of mass spectrometry (MS) data have a long and rich history with several modern MS-based applications using statistical and chemometric methods. Recently, machine learning (ML) has experienced a renaissance due to advents in computational hardware and the development of new algorithms for artificial neural networks (ANN) and deep learning architectures. Moreover, recent successes of new ANN and deep learning architectures in several areas of science, engineering, and society have further strengthened the ML field. Importantly, modern ML methods and architectures have enabled new approaches for tasks related to MS that are now widely adopted in several popular MS-based subdisciplines, such as mass spectrometry imaging and proteomics. Herein, we aim to provide an introductory summary of the practical aspects of ML methodology relevant to MS. Additionally, we seek to provide an up-to-date review of the most recent developments in ML integration with MS-based techniques while also providing critical insights into the future direction of the field.

Identifiers

PMID38910862
PMCPMC11191731

What OpenQuestion holds

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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.