One of the shared, fundamental goals of most chemistry researchers is the need to predict a molecule's properties, such as ...

This method outperformed other machine-learning approaches on both small and large datasets, and was able to accurately predict molecular properties and generate viable molecules when given a ...

KALAMAZOO, Mich.—Western Michigan University doctoral student Andrew Messecar received an Outstanding Student Poster Award at the 37th North American Molecular Beam Epitaxy Conference (NAMBE 2023) ...

By pairing two machine learning models, one to gather data and one to analyze it, researchers can circumvent limitations of the technology without sacrificing accuracy.

An article published in the Annual Review of Materials Research states that ML is being extensively utilized for predicting the properties of new ... has significantly influenced Molecular Science and ...

Machine learning and supercomputer simulations help researchers to predict interactions between gold nanoparticles and blood proteins. ScienceDaily . Retrieved July 23, 2025 from www.sciencedaily ...