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.