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Chemistry

A map of every conceivable molecule could be possible with AI

A map of all chemicals that places compounds with similar properties next to each other could speed up the process of discovery for everything from drugs to materials

By Karmela Padavic-Callaghan

23 August 2023

A chemical map would put molecules that have similar properties next to each other

A chemical map would put molecules that have similar properties next to each other

Shutterstock/fotohunter

Chemists want to build a map of every possible molecule. This could accelerate the discovery of new compounds for everything from drugs to materials, but determining the viability and properties of so many molecules is a huge challenge – one that artificial intelligence may just be able to help with.

The idea for the map would be that nearby molecules have similar properties. For example, compounds that respond to heat or to other chemicals in similar ways would…

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