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Chemical space contains every possible chemical compound. It includes every drug and material we know and every one we’ll find in the future. It’s practically infinite and can be frustratingly complex. That’s why some chemists are turning to artificial intelligence: AI can explore chemical space faster than humans, and it might be able to find molecules that would elude even expert scientists. But as researchers work to build and refine these AI tools, many questions still remain about how AI can best help search chemical space and when AI will be able to assist the wider chemistry community. What’s out there? It’s a question humans have been asking for as long as there have been humans. Our ancestors struck out across continents and oceans to make the unknown known. Now, we’re using telescopes and robots to explore what the universe is like beyond our solar system. Outer space isn’t the
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