Cited by 60Bioinformatics and Genomic NetworksBiomedical Text Mining and OntologiesComputational Drug Discovery Methods

Integrating and formatting biomedical data as pre-calculated knowledge graph embeddings in the Bioteque

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Fernández-Torras, Adrià, Duran-Frigola, Miquel, Bertoni, Martino, Locatelli, Martina, Aloy, Patrick·2022·Nature Communications

Published version of a preprint

Abstract

Biomedical data is accumulating at a fast pace and integrating it into a unified framework is a major challenge, so that multiple views of a given biological event can be considered simultaneously. Here we present the Bioteque, a resource of unprecedented size and scope that contains pre-calculated biomedical descriptors derived from a gigantic knowledge graph, displaying more than 450 thousand biological entities and 30 million relationships between them. The Bioteque integrates, harmonizes, and formats data collected from over 150 data sources, including 12 biological entities (e.g., genes, diseases, drugs) linked by 67 types of associations (e.g., ‘drug treats disease’, ‘gene interacts with gene’). We show how Bioteque descriptors facilitate the assessment of high-throughput protein-protein interactome data, the prediction of drug response and new repurposing opportunities, and demonstrate that they can be used off-the-shelf in downstream machine learning tasks without loss of performance with respect to using original data. The Bioteque thus offers a thoroughly processed, tractable, and highly optimized assembly of the biomedical knowledge available in the public domain.

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  • Embedding techniques can reduce the dimensionality of input data by several orders of magnitude without affecting the predictive capacity of downstream AI/ML models.

    “It has been shown that embedding techniques can reduce the dimensionality of the input data by several orders of magnitude without affecting the predictive capacity of downstream AI/ML models.196”

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  1. [15]Li, M., Huang, K. & Zitnik, M. Representation learning for networks in biology and medicine: advancements, challenges, and opportunities. Preprint at https://www.arxiv-vanity.com/papers/2104.04883/ (2021).
  2. [71]Seco, N., Veale, T. & Hayes, J. In Proceedings of the 16th European Conference on Artificial Intelligence 1089–1090 (IOS Press, 2004).
  3. [79]Dong, Y., Chawla, N. V. & Swami, A. In Proceedings of the 23rd ACM SIGKDD International Conference on Knowledge Discovery and Data Mining 135–144 (Association for Computing Machinery, 2017).

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Authors
Fernández-Torras, A., Duran-Frigola, M., Bertoni, M., Locatelli, M., & Aloy, P.
Affiliations
  • Institute for Research in Biomedicine (ES)
  • Institució Catalana de Recerca i Estudis Avançats (ES)
Corresponding author
Aloy, Patrick
Venue
Nature Communications
Published
2022-09-09
Volume
13
Issue
1
Pages
5304-5304
ISSN
2041-1723 (ISSN-L)
OpenAlex
W4295198017
Cited by
59
References
86
Citations by year
2026: 11 · 2025: 10 · 2024: 22 · 2023: 13 · 2022: 3
FWCI
4.00
Type
journal article
Language
en
Open access
Locations
  • Nature Communications (publishedVersion, cc-by)
  • bioRxiv (Cold Spring Harbor Laboratory) (acceptedVersion, cc-by)
  • PubMed Central (publishedVersion, cc-by)
  • PubMed (publishedVersion)
  • RePEc: Research Papers in Economics (submittedVersion)
  • DOAJ (DOAJ: Directory of Open Access Journals) (submittedVersion, cc-by-sa)
Funders
  • Generalitat de Catalunya (001-P-001682, 001-P-001647)
  • European Commission (101003633)
Topics
  • Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Bioinformatics and Genomic Networks
  • Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Biomedical Text Mining and Ontologies
  • Physical Sciences › Computer Science › Computational Theory and Mathematics › Computational Drug Discovery Methods
Keywords
biomedical knowledge graphs, knowledge graph embedding, biomedical data integration, data harmonization, protein-protein interaction network, drug response prediction, drug repurposing, biological entities, machine learning features
MeSH terms
Machine Learning, Pattern Recognition, Automated, Proteins, Knowledge, Knowledge Bases

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