Skip to main content

Annotation-Based Feature Extraction from Sets of SBML Models

  • Conference paper
  • 544 Accesses

Part of the book series: Lecture Notes in Computer Science ((LNBI,volume 8574))

Abstract

Model repositories such as BioModels Database provide computational models of biological systems for the scientific community. These models contain rich semantic annotations that link model entities to concepts in well-established bio-ontologies such as Gene Ontology. Consequently, thematically similar models are likely to share similar annotations. Based on this assumption, we argue that semantic annotations are a suitable tool to characterize sets of models. These characteristics can then help to classify models, to identify additional features for model retrieval tasks, or to enable the comparison of sets of models. In this paper, we present four methods for annotation-based feature extraction from model sets. All methods have been used with four different model sets in SBML format and taken from BioModels Database. To characterize each of these sets, we analyzed and extracted concepts from three frequently used ontologies for SBML models, namely Gene Ontology, ChEBI and SBO. We find that three of the four tested methods are suitable to determine characteristic features for model sets. The selected features vary depending on the underlying model set, and they are also specific to the chosen model set. We show that the identified features map on concepts that are higher up in the hierarchy of the ontologies than the concepts used for model annotations. Our analysis also reveals that the information content of concepts in ontologies and their usage for model annotation do not correlate.

This is a preview of subscription content, log in via an institution.

Buying options

Chapter
USD   29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD   34.99
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD   44.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Learn about institutional subscriptions

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. Le Novère, N., et al.: Meeting report from the first meetings of the Computational Modeling in Biology Network (COMBINE). Standards in Genomic Sciences 5(2), 230 (2011)

    Article  Google Scholar 

  2. Hucka, M., et al.: The systems biology markup language (SBML): a medium for representation and exchange of biochemical network models. Bioinformatics 19(4), 524–531 (2003)

    Article  Google Scholar 

  3. Courtot, M., et al.: Controlled vocabularies and semantics in systems biology. Molecular Systems Biology 7(1) (2011)

    Google Scholar 

  4. Robinson, P.N., Bauer, S.: Introduction to Bio-ontologies. Taylor & Francis, US (2011)

    Google Scholar 

  5. Li, C., et al.: BioModels Database: An enhanced, curated and annotated resource for published quantitative kinetic models. BMC Systems Biology 4(1), 92 (2010)

    Article  Google Scholar 

  6. Henkel, R., et al.: Ranked retrieval of Computational Biology models. BMC Bioinformatics 11(1), 423 (2010)

    MathSciNet  Google Scholar 

  7. Baeza-Yates, R., Ribeiro-Neto, B.: Modern Information Retrieval. ACM Press Books (1999)

    Google Scholar 

  8. Waltemath, D., et al.: SBML Level 3 Package Proposal: Annot. Nature Preceedings (2011), http://precedings.nature.com/documents/5610/version/1

  9. Ashburner, M., et al.: Gene Ontology: tool for the unification of biology. Nature Genetics 25(1), 25–29 (2000)

    Article  Google Scholar 

  10. Hastings, J., et al.: The ChEBI reference database and ontology for biologically relevant chemistry: enhancements for 2013. Nucleic Acids Res. 41, D456–D463 (2013)

    Google Scholar 

  11. Yang, Y., Pedersen, J.O.: A Comparative Study on Feature Selection in Text Categorization. In: Proceedings of the Fourteenth International Conference on Machine Learning, ICML 1997, San Francisco, CA, USA, pp. 412–420. Morgan Kaufmann Publishers Inc. (1997)

    Google Scholar 

  12. Forman, G.: An extensive empirical study of feature selection metrics for text classification. J. Mach. Learn. Res. 3, 1289–1305 (2003)

    MATH  Google Scholar 

  13. Hastie, T., Tibshirani, R., Friedman, J.: Hierarchical Clustering. In: The Elements of Statistical Learning, pp. 520–528. Springer (2009)

    Google Scholar 

  14. Li, Y., et al.: An approach for measuring semantic similarity between words using multiple information sources. IEEE Transactions on Knowledge and Data Engineering 15(4), 871–882 (2003)

    Article  Google Scholar 

  15. Resnik, P.: Using information content to evaluate semantic similarity in a taxonomy. In: Proceedings of the 14th International Joint Conference on Artificial Intelligence, pp. 445–453 (1995)

    Google Scholar 

  16. Resnik, P.: Semantic similarity in a taxonomy: An information-based measure and its application to problems of ambiguity in natural language. Journal of Artificial Intelligence Research 11, 95–130 (1999)

    MATH  Google Scholar 

  17. Trißl, S., Hussels, P., Leser, U.: InterOnto – Ranking Inter-Ontology Links. In: Bodenreider, O., Rance, B. (eds.) DILS 2012. LNCS, vol. 7348, pp. 5–20. Springer, Heidelberg (2012)

    Chapter  Google Scholar 

  18. McGuinness, D.L., et al.: Owl web ontology language overview. W3C Recommendation 10(2004-03) (2004)

    Google Scholar 

  19. Henkel, R., Wolkenhauer, O., Walthemath, D.: Combining computational models, semantic annotations, and associated simulation experiments in a graph database. Peer J. Preprints (2:e376v1) (2014)

    Google Scholar 

  20. Waltemath, D., et al.: Possibilities for Integrating Model-related Data in Computational Biology. In: CEUR Workshop Proceedings of the 9th International Conference on Data Integration in the Life Sciences (2013), http://www2.unb.ca/csas/data/ws/dils2013/

  21. Henkel, R., et al.: Considerations of graph-based concepts to manage computational biology models and associated simulations. In: GI-Jahrestagung, pp. 1545–1551 (2012)

    Google Scholar 

  22. Waltemath, D., et al.: Das Sombi-Framework zum Ermitteln geeigneter Suchfunktionen für biologische Modelldatenbasen. Datenbank-Spektrum 11(1), 27–36 (2011)

    Article  Google Scholar 

  23. Kuhn, H.W.: The hungarian method for the assignment problem. Naval Research Logistics Quarterly 2(1-2), 83–97 (1955)

    Article  MathSciNet  Google Scholar 

  24. Cuellar, A.A., et al.: An overview of CellML 1.1, a biological model description language. Simulation 79(12), 740–747 (2003)

    Article  Google Scholar 

  25. Gleeson, P., et al.: NeuroML: a language for describing data driven models of neurons and networks with a high degree of biological detail. PLoS Computational Biology 6(6), e1000815 (2010)

    Google Scholar 

  26. Schomburg, I., et al.: BRENDA in 2013: integrated reactions, kinetic data, enzyme function data, improved disease classification: new options and contents in BRENDA. Nucleic Acids Research 41(D1), D764–D772 (2013)

    Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Editor information

Editors and Affiliations

Rights and permissions

Reprints and permissions

Copyright information

© 2014 Springer International Publishing Switzerland

About this paper

Cite this paper

Alm, R., Waltemath, D., Wolkenauer, O., Henkel, R. (2014). Annotation-Based Feature Extraction from Sets of SBML Models. In: Galhardas, H., Rahm, E. (eds) Data Integration in the Life Sciences. DILS 2014. Lecture Notes in Computer Science(), vol 8574. Springer, Cham. https://doi.org/10.1007/978-3-319-08590-6_8

Download citation

  • DOI: https://doi.org/10.1007/978-3-319-08590-6_8

  • Publisher Name: Springer, Cham

  • Print ISBN: 978-3-319-08589-0

  • Online ISBN: 978-3-319-08590-6

  • eBook Packages: Computer ScienceComputer Science (R0)

Publish with us

Policies and ethics