Collaborations Pharmaceuticals Inc. has published two articles with coauthors in Nature Materials which describe the opportunities and challenges for machine learning in the pharmaceutical industry.
The first is entitled “Opportunities and challenges using artificial intelligence in ADME/Tox” with Barun Bhhatarai (Novartis Institutes for Biomedical Research), W. Patrick Walters (Relay Therapeutics), Cornelis E.C.A. Hop (Genentech) and Guido Lanza (Numerate) and followed a recent panel in 2018 at an AI conference which discussed the same topic and led to substantial discussion and opinions.
The second “Exploiting Machine Learning for End-To-End Drug Discovery and Development” included Collaborations Pharmaceuticals authors Ana C. Puhl, Kimberley M. Zorn, Thomas R. Lane, Jennifer J. Klein and Sean Ekins. Our collaborators on this article included Daniel P. Russo (Rutgers) ,, Anthony J. Hickey (UNC) and Alex M. Clark (Molecular Materials Informatics). This perspective article describes how machine learning has now permeated virtually all aspects of the pharmaceutical process that it could be considered possible to perform substantial amounts of research using machine learning (or End to End).
These articles describe research by many groups which demonstrate the potential for machine learning to impact pharmaceutical R&D.