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Skeletal formula of the (S) enantiomer of VX

AI Designs Chemical Weapons: Researchers retrained a system originally designed to discover new medicines to show that it could, instead, generate molecular formulas for poisons.

It’s surprisingly easy to turn a well-intended machine learning model to the dark side. In an experiment, Fabio Urbina and colleagues at Collaborations Pharmaceuticals, who had built a drug-discovery model to design useful compounds and avoid toxic ones, retrained it to generate poisons.

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