Turning uncertainty into a design tool for AIengineered molecules
Apr 09, 2026
While precision seems critical for science, researchers from the U.S. Department of Energy's (DOE) Brookhaven National Laboratory and Texas AM University are embracing uncertainty, using it to fine-tune artificial intelligence (AI)-based molecular design models. The resulting models can generate mol
ecules with better predicted properties than those offered by the original models. The work is featured on the February 2026 cover of Molecular Systems Design Engineering. ...read more read less