Opportunities and challenges using artificial intelligence in ADME/Tox.

Journal: Nature materials
Published Date: May 1, 2019

Abstract

A recent conference organized a panel of scientists representing small and big pharma companies, who work at the interface of machine learning (ML) and absorption, distribution, metabolism, excretion, and toxicology (ADME/Tox). With the recent rebirth of AI related to pharma, it is timely to present this collaborative commentary to capture the diverging opinions on the past, present and future role of AI for ADME/Tox and how it can be applied in newer areas such as nanomaterials.

Authors

  • Barun Bhhatarai
    Novartis Institutes for Biomedical Research, Cambridge, MA, USA.
  • W Patrick Walters
    Relay Therapeutics, Cambridge, MA, USA.
  • Cornelis E C A Hop
    Genentech, South San Francisco, CA, USA.
  • Guido Lanza
    Numerate, San Francisco, CA, USA.
  • Sean Ekins
    Collaborations in Chemistry, 5616 Hilltop Needmore Road, Fuquay-Varina, NC 27526, USA; Collaborative Drug Discovery, 1633 Bayshore Highway, Suite 342, Burlingame, CA 94010, USA; Collaborations Pharmaceuticals, Inc., 5616 Hilltop Needmore Road, Fuquay-Varina, NC 27526, USA; Phoenix Nest, Inc., P.O. Box 150057, Brooklyn, NY 11215, USA; Hereditary Neuropathy Foundation, 401 Park Avenue South, 10th Floor, New York, NY 10016, USA. Electronic address: ekinssean@yahoo.com.

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