Pierre Baldi, a computer scientist at the University of California, Irvine, thinks data availability is key to enabling AI exploration of chemical space. “Discovery of drugs and things that benefit all of us could be accelerated by making data more readily open and available within the broad chemical sciences community,” he says. He argues that organizations that own chemical data without making them openly available impede the application of AI across chemical space. For example, Baldi points to ACS, which owns data in the journal articles it publishes and in databases like those compiled by CAS.

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