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AI-generated molecular fingerprints help identify existing compounds with therapeutic potential

Phys.org · WORLD · Science · 11/10/2026, 5:30:01 PM

Health care researchers have long sought to harness the power of computing to design molecules that bind to specific receptors and can be used as targeted treatments for diseases. Even with the increasing sophistication of artificial intelligence, however, this technological promise has yet to be realized.

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