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The AI Small Molecule Drug Discovery Center will focus on three core areas: designing novel drug-like molecules using generative AI, optimizing existing compounds to enhance their efficacy and safety, ...

A new NASA-supported study shows how an AI tool can predict chemical compositions from photos with high accuracy.

A team from Jiuhua Laboratory in China has developed a novel "Electronic Structure-Infused Network (ESIN)" model that accurately predicts the photoluminescence quantum yield (PLQY) of organic ...

Scientists at the Department of Energy’s Oak Ridge National Laboratory and the University of Cincinnati achieved a ...