The biggest impact of artificial intelligence will be to help humans make discoveries we couldn’t make on our own. AI is reinventing the way we invent
Regina Barzilay’s office at MIT affords a clear view of the Novartis Institutes for Biomedical Research. Amgen’s drug discovery group is a few blocks beyond that. Until recently, Barzilay, one of the world’s leading researchers in artificial intelligence, hadn’t given much thought to these nearby buildings full of chemists and biologists. But as AI and machine learning began to perform ever more impressive feats in image recognition and language comprehension, she began to wonder: could it also transform the task of finding new drugs?
The problem is that human researchers can explore only a tiny slice of what is possible. It’s estimated that there are as many as 1060 potentially drug-like molecules—more than the number of atoms in the solar system. But traversing seemingly unlimited possibilities is what machine learning is good at. Trained on large databases of existing molecules and their properties, the programs can explore all possible related molecules.
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