"By leveraging machine learning-based approaches in the design workflow, we can accelerate the design process to truly leverage the design freedom afforded by lattice structures and take advantage ...

What is the actual structure of graphene oxide nanoflakes? This question is important for optimizing the properties of the carbon material in real-world applications, and researchers at CSIRO in ...

An AI approach developed by researchers from the University of Sheffield and AstraZeneca, could make it easier to design ...

A machine learning approach could allow computers to determine the electronic structure of molecules without having to use the most resource-intensive equations of density functional theory, new ...

Machine-learning model helps determine protein structures New technique reveals many possible conformations that a protein may take Date: February 4, 2021 ...

Here, by using a deep-learning network that already captures general principles of protein structure, we eliminate the need for fold-specific rules and open up the possibility of focusing on just ...

Scientists have successfully tested the use of machine learning models to guide the design of long-acting injectable drug formulations. The potential for machine learning algorithms to accelerate ...

and only a few RNA structures are currently known. Additionally, using machine learning to predict RNA structure has proven far more difficult – and less successful – than it has for protein ...