Ethics and the Dark Side of Computational Toxicology

In this presentation I discuss the ethics surrounding the use of generative AI to produce chemical weapons and drugs of abuse. It is important to note that the train has already left the station -- people have been talking openly about using generative AI to produce chemical weapons and drugs for some time now. But do software developers bear any responsibility? What can software developers and generative AI service companies that computationally generate new chemical/molecular entities do to act ethically and responsibly? I answer some of these questions in this talk.

I gave this presentation at the 8th German Pharm-Tox Summit on 9 March 2023 in Ulm, Germany.