Virtual screening methods fall broadly into two categories: ligand- and structure-based. Ligand-based virtual screening doesn’t require a target protein structure, Instead, it leverages known active ...

AI in Computer-Aided Synthesis Planning Market reached USD 2.13 bn in 2024 and is expected to grow rapidly to USD 68.06 bn by ...

Critical concerns regarding the security and privacy of information transmitted within Internet of Medical Things systems have increased greatly ...

The proof-of-concept could pave the way for a new class of AI debuggers, making language models more reliable for business-critical applications.

Mathematics is deemed to be beyond figures. It is described as the foundation of resilience in society.

Through cutting-edge methods and advanced artificial intelligence analysis, UNC Charlotte researchers leading a ...

Crystal structure prediction (CSP) of organic molecules is a critical task, especially in pharmaceuticals and materials ...

The field of computational materials science has been profoundly transformed by integrating deep learning and other machine learning methodologies. These sophisticated data-driven approaches have ...

Discover how food and beverage innovators are transforming product and packaging development with digital tools that unite ...

SandboxAQ (Palo Alto, Calif.) today announced the release of AQCat25-EV2, a novel quantitative AI model trained on the AQCat25 dataset, representing an ...

A new computational method now makes it possible to calculate the forces between large molecules with unprecedented accuracy.