AI-informed AdaptiveFlow redefines large-scale cloud computing for drug discovery

Researchers today announced AdaptiveFlow, an AI-informed platform that can virtually screen billions of drug-like molecules with a 1,000-fold reduction in computational costs over existing methods. Developed and validated by scientists from St. Jude Children's Research Hospital, University of Pavia, Dana Farber Cancer Institute and Harvard Medical School, AdaptiveFlow allows prohibitively expensive ultra-large virtual drug screens to be conducted routinely. The open-source platform was published today in Nature Biotechnology.

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