Machine learning models in the prediction of drug metabolism: challenges and future perspectives

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Declaration of interest

L E Kavraki received grant U01CA258512 from the NIH. The authors have no other relevant affiliations or financial involvement with any organization or entity with a financial interest in or financial conflict with the subject matter or materials discussed in the manuscript apart from those disclosed.

Reviewer disclosures

Peer reviewers on this manuscript have no relevant financial or other relationships to disclose.

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Funding

This paper was funded in part by NIH grant U01CA258512 and Rice University funds.