Prediction of crystal structures of organic molecules is a critical task in many industries, especially in pharmaceuticals and design of functional materials. In pharmaceuticals, crystal structures ...

Crystal structure prediction (CSP) of organic molecules is a critical task, especially in pharmaceuticals and materials science. However, conventional methods are computationally intensive and ...

This diagram outlines the process used to identify the top 20 metabolites associated with oxidative potential (OP) in heavy metal-contaminated soils. The analysis involves data collection from ...

Researchers have developed a machine-learning workflow to optimize the output force of photo-actuated organic crystals. Using LASSO regression to identify key molecular substructures and Bayesian ...

Imagine having a super-powered lens that uncovers hidden secrets of ultra-thin materials used in our gadgets. Research led by University of Florida engineering professor Megan Butala enables a novel ...