"Our company—Collaborations Pharmaceuticals, Inc.—had recently published computational machine learning models for toxicity prediction in different areas, and, in developing our presentation to the Spiez meeting, we opted to explore how AI could be used to design toxic molecules. It was a thought exercise we had not considered before that ultimately evolved into a computational proof … Continue reading Nightmare Fuel: Artificial Intelligence for Drug Discovery Repurposed to Discover New Chemical Weapons