Turning uncertainty into a design tool for AI-engineered molecules

While precision seems critical for science, researchers from the U.S. Department of Energy's (DOE) Brookhaven National Laboratory and Texas A&M University are embracing uncertainty, using it to fine-tune artificial intelligence (AI)-based molecular design models. The resulting models can generate molecules with better predicted properties than those offered by the original models. The work is feat
Source
Phys.org
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