Today, most chemicals are still assessed using methods developed decades ago, or tested in animals. Computational toxicology was meant to change that, but existing models hit a wall: they only work well for molecules similar to those used to train them.

Quantum-Tox wants to tear down that wall. By anchoring predictions in quantum mechanics – the physics that governs how electrons actually behave inside a molecule – our models can, in principle, assess any molecule, even ones that have never been synthesised.