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Modified linear regression predicts drug-target interactions accurately

Author

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  • Krisztian Buza
  • Ladislav Peška
  • Júlia Koller

Abstract

State-of-the-art approaches for the prediction of drug–target interactions (DTI) are based on various techniques, such as matrix factorisation, restricted Boltzmann machines, network-based inference and bipartite local models (BLM). In this paper, we propose the framework of Asymmetric Loss Models (ALM) which is more consistent with the underlying chemical reality compared with conventional regression techniques. Furthermore, we propose to use an asymmetric loss model with BLM to predict drug–target interactions accurately. We evaluate our approach on publicly available real-world drug–target interaction datasets. The results show that our approach outperforms state-of-the-art DTI techniques, including recent versions of BLM.

Suggested Citation

  • Krisztian Buza & Ladislav Peška & Júlia Koller, 2020. "Modified linear regression predicts drug-target interactions accurately," PLOS ONE, Public Library of Science, vol. 15(4), pages 1-18, April.
    • Handle: RePEc:plo:pone00:0230726
    DOI: 10.1371/journal.pone.0230726
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    References listed on IDEAS

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    3. Twan van Laarhoven & Elena Marchiori, 2013. "Predicting Drug-Target Interactions for New Drug Compounds Using a Weighted Nearest Neighbor Profile," PLOS ONE, Public Library of Science, vol. 8(6), pages 1-6, June.
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