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Predicting and Classifying Drug Interactions

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ICT Innovations 2021. Digital Transformation (ICT Innovations 2021)

Part of the book series: Communications in Computer and Information Science ((CCIS,volume 1521))

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Abstract

Experimentally identifying previously unknown drug-drug interactions (DDIs) that might cause potentially adverse drug reactions or alter drug’s effectiveness when a combination of two or more drugs are used is a costly task. By contrast, many computational-algorithmic approaches have been used as a faster solution to the problem. Our current research efforts have been directed toward comparative performance evaluation of several approaches for discovering and classifying previously unknown interactions between two drugs. In this research, the task of discovering new DDIs have been formalized as a link prediction task in an interaction network constructed on the basis of previously known drug interactions. Several approaches for link prediction have been experimented with to find empirical evidence of their performance standing. Classifying the interaction type of a newly discovered DDI on the basis of the molecular compound of the drugs involved have also been explored.

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Notes

  1. 1.

    https://go.drugbank.com/.

  2. 2.

    https://skr3.nlm.nih.gov/SemMedDB/.

  3. 3.

    http://snap.stanford.edu/biodata/.

  4. 4.

    https://pubchem.ncbi.nlm.nih.gov/.

References

  1. Adamic, L.A., Adar, E.: Friends and neighbors on the web. Soc. Netw. 25(3), 211–230 (2003)

    Article  Google Scholar 

  2. Backstrom, L., Leskovec, J.: Supervised random walks: predicting and recommending links in social networks. In: Proceedings of the fourth ACM International Conference on Web Search and Data Mining, pp. 635–644 (2011)

    Google Scholar 

  3. Barabási, A.L., Albert, R.: Emergence of scaling in random networks. Science 286(5439), 509–512 (1999)

    Article  MathSciNet  Google Scholar 

  4. Chen, T., He, T., Benesty, M., Khotilovich, V., Tang, Y., Cho, H., et al.: XGBoost: extreme gradient boosting. R Package Version 0.4-2 1(4), 1–4 (2015)

    Google Scholar 

  5. Cui, C., et al.: Drug repurposing against breast cancer by integrating drug-exposure expression profiles and drug-drug links based on graph neural network. Bioinformatics 37(18), 2930–2937 (2021)

    Article  Google Scholar 

  6. Feeney, A., et al.: Relation matters in sampling: a scalable multi-relational graph neural network for drug-drug interaction prediction. arXiv preprint arXiv:2105.13975 (2021)

  7. Hamilton, W.L., Ying, R., Leskovec, J.: Inductive representation learning on large graphs. In: Proceedings of the 31st International Conference on Neural Information Processing Systems, pp. 1025–1035 (2017)

    Google Scholar 

  8. Kipf, T.N., Welling, M.: Variational graph auto-encoders. arXiv preprint arXiv:1611.07308 (2016)

  9. Le, D.H.: Random walk with restart: a powerful network propagation algorithm in bioinformatics field. In: 2017 4th NAFOSTED Conference on Information and Computer Science, pp. 242–247. IEEE (2017)

    Google Scholar 

  10. Lee, I., Nam, H.: Identification of drug-target interaction by a random walk with restart method on an interactome network. BMC Bioinform. 19(8), 9–18 (2018)

    Google Scholar 

  11. Purkayastha, S., Mondal, I., Sarkar, S., Goyal, P., Pillai, J.K.: Drug-drug interactions prediction based on drug embedding and graph auto-encoder. In: 2019 IEEE 19th International Conference on Bioinformatics and Bioengineering (BIBE), pp. 547–552. IEEE (2019)

    Google Scholar 

  12. Ryu, J.Y., Kim, H.U., Lee, S.Y.: Deep learning improves prediction of drug-drug and drug-food interactions. Proc. Natl. Acad. Sci. 115(18), E4304–E4311 (2018)

    Article  Google Scholar 

  13. Seo, M., Shin, H.K., Myung, Y., Hwang, S., No, K.T.: Development of natural compound molecular fingerprint (NC-MFP) with the dictionary of natural products (DNP) for natural product-based drug development. J. Cheminform. 12(1), 1–17 (2020)

    Article  Google Scholar 

  14. Shtar, G., Rokach, L., Shapira, B.: Detecting drug-drug interactions using artificial neural networks and classic graph similarity measures. PLoS ONE 14(8), e0219796 (2019)

    Article  Google Scholar 

  15. Tong, H., Faloutsos, C., Pan, J.Y.: Fast random walk with restart and its applications. In: Sixth International Conference on Data Mining (ICDM 2006), pp. 613–622. IEEE (2006)

    Google Scholar 

  16. Tong, H., Faloutsos, C., Pan, J.Y.: Random walk with restart: fast solutions and applications. Knowl. Inf. Syst. 14(3), 327–346 (2008)

    Article  Google Scholar 

  17. Tran, P.V.: Learning to make predictions on graphs with autoencoders. In: 2018 IEEE 5th International Conference on Data Science and Advanced Analytics (DSAA), pp. 237–245. IEEE (2018)

    Google Scholar 

  18. Willighagen, E.L., et al.: The chemistry development kit (CDK) v2. 0: atom typing, depiction, molecular formulas, and substructure searching. J. Cheminform. 9(1), 1–19 (2017)

    Google Scholar 

  19. Wishart, D.S., et al.: DrugBank 5.0: a major update to the DrugBank database for 2018. Nucleic Acids Res. 46(D1), D1074–D1082 (2018)

    Google Scholar 

  20. Zhang, W., Chen, Y., Liu, F., Luo, F., Tian, G., Li, X.: Predicting potential drug-drug interactions by integrating chemical, biological, phenotypic and network data. BMC Bioinform. 18(1), 1–12 (2017)

    Article  Google Scholar 

  21. Zhang, W., et al.: SFLLN: a sparse feature learning ensemble method with linear neighborhood regularization for predicting drug-drug interactions. Inf. Sci. 497, 189–201 (2019)

    Article  Google Scholar 

  22. Zitnik, M., Agrawal, M., Leskovec, J.: Modeling polypharmacy side effects with graph convolutional networks. Bioinformatics 34(13), i457–i466 (2018)

    Article  Google Scholar 

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Acknowledgement

This work was partially financed by the Faculty of Computer Science and Engineering at the “Ss. Cyril and Methodius” University.

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Correspondence to Elena Stefanovska or Sonja Gievska .

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Stefanovska, E., Gievska, S. (2022). Predicting and Classifying Drug Interactions. In: Antovski, L., Armenski, G. (eds) ICT Innovations 2021. Digital Transformation. ICT Innovations 2021. Communications in Computer and Information Science, vol 1521. Springer, Cham. https://doi.org/10.1007/978-3-031-04206-5_3

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  • DOI: https://doi.org/10.1007/978-3-031-04206-5_3

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