Evidence map›Paper›PMID 33133423›Full record

ReviewComputational and structural biotechnology journal2020

Deep metabolome: Applications of deep learning in metabolomics.

Yotsawat Pomyen, Kwanjeera Wanichthanarak, Patcha Poungsombat, Johannes Fahrmann, Dmitry Grapov, Sakda Khoomrung

Abstract readReview
In one paragraph

Review in Computational and structural biotechnology journal, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 79 papers, 1 of them a synthesis that pooled it.

0numbers the graph read from it
0cells of the map it votes in
79citing papers in PubMed, 1 pooled it
–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

79 citing papers in PubMed, 1 synthesis or guideline pooled it.

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19 more citing papers are in PubMed but not listed here.

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.

Yotsawat PomyenTranslational Research Unit, Chulabhorn Research Institute, Bangkok, Thailand.
Kwanjeera WanichthanarakMetabolomics and Systems Biology, Department of Biochemistry, Faculty of Medicine Siriraj Hospital, Mahidol University, Bangkok 10700, Thailand.
Patcha PoungsombatMetabolomics and Systems Biology, Department of Biochemistry, Faculty of Medicine Siriraj Hospital, Mahidol University, Bangkok 10700, Thailand.
Johannes FahrmannDepartment of Clinical Cancer Prevention, The University of Texas MD Anderson Cancer Center, 1515 Holcombe Boulevard, Houston, TX 77030, USA.
Dmitry GrapovCDS- Creative Data Solutions LLC, https://creative-data.solutions, USA.
Sakda KhoomrungMetabolomics and Systems Biology, Department of Biochemistry, Faculty of Medicine Siriraj Hospital, Mahidol University, Bangkok 10700, Thailand.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

In the past few years, deep learning has been successfully applied to various omics data. However, the applications of deep learning in metabolomics are still relatively low compared to others omics. Currently, data pre-processing using convolutional neural network architecture appears to benefit the most from deep learning. Compound/structure identification and quantification using artificial neural network/deep learning performed relatively better than traditional machine learning techniques, whereas only marginally better results are observed in biological interpretations. Before deep learning can be effectively applied to metabolomics, several challenges should be addressed, including metabolome-specific deep learning architectures, dimensionality problems, and model evaluation regimes.

Indexed as

AI, Artificial IntelligenceANN, Artificial Neural NetworkArtificial neural networkAUC, Area Under the receiver-operating characteristic CurveCCS value, Collision Cross Section valueCFM-EI, Competitive Fragmentation Modeling-Electron IonizationCNN, Convolutional Neural NetworkDeep learningDL, Deep LearningDNN, Deep Neural NetworkECFP, Extended Circular FingerprintER, Estrogen ReceptorFID, Free Induction DecayFP score, Fingerprint correlation scoreFTIR, Fourier Transform InfraredGC–MS, Gas Chromatography-Mass SpectrometryHDLSS data, High Dimensional Low Sample Size dataistHMS, Implementation of IST at Harvard Medical SchoolIST, Iterative Soft ThresholdingLC-MS, Liquid Chromatography-Mass SpectrometryLSTM, Long Short-Term MemoryMass spectrometryMetabolomicsML, Machine LearningMLP, Multi-layered PerceptronMS, Mass Spectrometrym/z, mass/charge ratioNEIMS, Neural Electron-Ionization Mass SpectrometryNMRNMR, Nuclear Magnetic ResonanceNUS, Non-Uniformly SamplingPARAFAC2, Parallel Factor Analysis 2ReLU, Rectified Linear UnitRF, Random ForestRNN, Recurrent Neural NetworkSMARTS, SMILES arbitrary target specificationSMILE, Sparse Multidimensional Iterative Lineshape-enhancedSMILES, Simplified Molecular-Input Line-Entry SystemSRA, Sequence Read ArchiveVAE, Variational Autoencoder

Identifiers

PMID33133423
PMCPMC7575644

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.