Skip to main content

Thank you for visiting nature.com. You are using a browser version with limited support for CSS. To obtain the best experience, we recommend you use a more up to date browser (or turn off compatibility mode in Internet Explorer). In the meantime, to ensure continued support, we are displaying the site without styles and JavaScript.

  • Commentary
  • Published:

An active role for machine learning in drug development

Because of the complexity of biological systems, cutting-edge machine-learning methods will be critical for future drug development. In particular, machine-vision methods to extract detailed information from imaging assays and active-learning methods to guide experimentation will be required to overcome the dimensionality problem in drug development.

This is a preview of subscription content, access via your institution

Relevant articles

Open Access articles citing this article.

Access options

Buy this article

Prices may be subject to local taxes which are calculated during checkout

Figure 1: Machine-vision methods for identifying and resolving drug and disease effects on protein distributions.
Figure 2: The perturbagen effect hyper-rectangle.

References

  1. Bleicher, K.H., Bohm, H.J., Muller, K. & Alanine, A.I. Nat. Rev. Drug Discov. 2, 369–378 (2003).

    Article  CAS  Google Scholar 

  2. Taylor, D.L. Methods Mol. Biol. 356, 3–18 (2007).

    CAS  PubMed  Google Scholar 

  3. Macarron, R. et al. Nat. Rev. Drug Discov. 10, 188–195 (2011).

    Article  CAS  Google Scholar 

  4. Merino, A., Bronowska, A.K., Jackson, D.B. & Cahill, D.J. Drug Discov. Today 15, 749–756 (2010).

    Article  Google Scholar 

  5. Giuliano, K.A., Premkumar, D.R., Strock, C.J., Johnston, P. & Taylor, L. Comb. Chem. High Throughput Screen. 12, 838–848 (2009).

    Article  CAS  Google Scholar 

  6. Carpenter, A.E. et al. Genome Biol. 7, R100 (2006).

    Article  Google Scholar 

  7. Shariff, A., Kangas, J., Coelho, L.P., Quinn, S. & Murphy, R.F. J. Biomol. Screen. 15, 726–734 (2010).

    Article  Google Scholar 

  8. Perlman, Z.E. et al. Science 306, 1194–1198 (2004).

    Article  CAS  Google Scholar 

  9. Zhao, T. & Murphy, R.F. Cytometry A 71, 978–990 (2007).

    Article  Google Scholar 

  10. Shariff, A., Murphy, R.F. & Rohde, G.K. Cytometry A 77, 457–466 (2010).

    PubMed  PubMed Central  Google Scholar 

  11. Peng, T. & Murphy, R.F. Cytometry A published online, 10.1002/cyto.a.21066 (6 April 2011).

    Google Scholar 

  12. Warmuth, M.K. et al. J. Chem. Inf. Comput. Sci. 43, 667–673 (2003).

    Article  CAS  Google Scholar 

  13. Fujiwara, Y. et al. J. Chem. Inf. Model. 48, 930–940 (2008).

    Article  CAS  Google Scholar 

  14. Pournara, I. & Wernisch, L. Bioinformatics 20, 2934–2942 (2004).

    Article  CAS  Google Scholar 

  15. Liu, Y. J. Chem. Inf. Comput. Sci. 44, 1936–1941 (2004).

    Article  CAS  Google Scholar 

  16. Danziger, S.A. et al. PLOS Comput. Biol. 5, e1000498 (2009).

    Article  Google Scholar 

  17. Danziger, S.A., Zeng, J., Wang, Y., Brachmann, R.K. & Lathrop, R.H. Bioinformatics 23, i104–i114 (2007).

    Article  CAS  Google Scholar 

  18. Stegle, O., Payet, L., Mergny, J.L., MacKay, D.J. & Leon, J.H. Bioinformatics 25, i374–i382 (2009).

    Article  CAS  Google Scholar 

  19. Mohamed, T.P., Carbonell, J.G. & Ganapathiraju, M.K. BMC Bioinformatics 11 Suppl 1, S57 (2010).

    Article  Google Scholar 

Download references

Acknowledgements

Much of the work from my group referred to here was supported by NIH grant GM075205.

Author information

Authors and Affiliations

Authors

Corresponding author

Correspondence to Robert F Murphy.

Ethics declarations

Competing interests

The author declares no competing financial interests.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Murphy, R. An active role for machine learning in drug development. Nat Chem Biol 7, 327–330 (2011). https://doi.org/10.1038/nchembio.576

Download citation

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1038/nchembio.576

This article is cited by

Search

Quick links

Nature Briefing

Sign up for the Nature Briefing newsletter — what matters in science, free to your inbox daily.

Get the most important science stories of the day, free in your inbox. Sign up for Nature Briefing