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Opportunities and challenges using artificial intelligence in ADME/Tox

Nature Materials volume 18, pages 418–422 (2019)Cite this article

At the recent Artificial Intelligence Applications in Biopharma Summit in Boston, USA, a panel of scientists from industry who work at the interface of machine learning and pharma discussed the diverging opinions on the past, present and future role of AI for ADME/Tox in drug discovery and development.

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Acknowledgements

D. Chipman and E. Cutler are kindly acknowledged for organizing the AI Applications in Biopharma Summit. S.E. acknowledges A. Clark, J. Freundlich and A. Williams for their many discussions on machine learning and ADME/Tox models. S.E. acknowledges funding to Collaborations Pharmaceuticals Inc. from NIGMS R44 GM122196-02A1.

Author information

Authors and Affiliations

  1. Novartis Institutes for Biomedical Research, Cambridge, MA, USA

    Barun Bhhatarai

  2. Relay Therapeutics, Cambridge, MA, USA

    W. Patrick Walters

  3. Genentech, South San Francisco, CA, USA

    Cornelis E. C. A. Hop

  4. Numerate, San Francisco, CA, USA

    Guido Lanza

  5. Collaborations Pharmaceuticals Inc., Raleigh, NC, USA

    Sean Ekins

Authors
  1. Barun Bhhatarai
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  2. W. Patrick Walters
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  3. Cornelis E. C. A. Hop
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  4. Guido Lanza
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  5. Sean Ekins
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Correspondence to Sean Ekins.

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Bhhatarai, B., Walters, W.P., Hop, C.E.C.A. et al. Opportunities and challenges using artificial intelligence in ADME/Tox. Nat. Mater. 18, 418–422 (2019). https://doi.org/10.1038/s41563-019-0332-5

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