Evidence map›Paper›PMID 32797179›Full record

ArticleBioinformatics (Oxford, England)2021

Unsupervised protein embeddings outperform hand-crafted sequence and structure features at predicting molecular function.

Amelia Villegas-Morcillo, Stavros Makrodimitris, Roeland C H J van Ham, Angel M Gomez, Victoria Sanchez, Marcel J T Reinders

Abstract read
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Article in Bioinformatics (Oxford, England), 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 65 papers.

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0cells of the map it votes in
65citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

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2 · The registry

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3 · Its place in the literature

Who cites it

65 citing papers in PubMed.

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  11. Predicting Protein-Protein Interactions from Machine-Learned Representations.Advances in experimental medicine and biology · 2026
    Review
  12. Article
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  15. Computational function prediction of bacteria and phage proteins.Microbiology and molecular biology reviews : MMBR · 2025
    Review
  16. Article
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5 more citing papers are in PubMed but not listed here.

4 · The record

Corrections and comments

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5 · Who and what money

Authors and funding

6 authors.

Amelia Villegas-MorcilloDepartment of Signal Theory, Telematics and Communications, University of Granada, 18071 Granada, Spain.ORCID 0000-0002-3286-049X
Stavros MakrodimitrisDelft Bioinformatics Lab, Delft University of Technology, 2628XE Delft, The Netherlands.ORCID 0000-0002-3111-4268
Roeland C H J van HamDelft Bioinformatics Lab, Delft University of Technology, 2628XE Delft, The Netherlands.
Angel M GomezDepartment of Signal Theory, Telematics and Communications, University of Granada, 18071 Granada, Spain.
Victoria SanchezDepartment of Signal Theory, Telematics and Communications, University of Granada, 18071 Granada, Spain.
Marcel J T ReindersDelft Bioinformatics Lab, Delft University of Technology, 2628XE Delft, The Netherlands.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

motivationProtein function prediction is a difficult bioinformatics problem. Many recent methods use deep neural networks to learn complex sequence representations and predict function from these. Deep supervised models require a lot of labeled training data which are not available for this task. However, a very large amount of protein sequences without functional labels is available.

resultsWe applied an existing deep sequence model that had been pretrained in an unsupervised setting on the supervised task of protein molecular function prediction. We found that this complex feature representation is effective for this task, outperforming hand-crafted features such as one-hot encoding of amino acids, k-mer counts, secondary structure and backbone angles. Also, it partly negates the need for complex prediction models, as a two-layer perceptron was enough to achieve competitive performance in the third Critical Assessment of Functional Annotation benchmark. We also show that combining this sequence representation with protein 3D structure information does not lead to performance improvement, hinting that 3D structure is also potentially learned during the unsupervised pretraining. AVAILABILITY AND IMPLEMENTATION: Implementations of all used models can be found at https://github.com/stamakro/GCN-for-Structure-and-Function. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.

Indexed as

ProteinsSoftwareAmino Acid SequenceNeural Networks, ComputerProteins

Identifiers

PMID32797179
PMCPMC8055213

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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.