Ligand-based drug design combines AI and QSAR modeling to prioritize drug candidates, minimizing preclinical failures and ...

CoCoGraph uses a diffusion model, a technique common in image generation, to generate realistic molecules for therapeutics ...

Finding and developing new molecules is one of the great research endeavors of modern chemistry. From the development of new ...

A rotating cylinder with its side cut away to expose the core, showing patches of purple, blue, green, yellow, and orange that are dense in the middle and more diffuse toward the edges. This rotating ...

Researchers at the Department of Energy’s SLAC National Accelerator Laboratory have built a generative AI model that reconstructs the three-dimensional geometry of molecules from the scattered ion ...

Using generative artificial intelligence (generative AI), scientists from Massachusetts Institute of Technology (MIT) and their collaborators elsewhere designed novel antibiotics capable of combating ...

Chemists and computer scientists tapped AI to find new disinfectants to combat the growing threat of dangerous "superbugs." ...

Researchers at Universitat Rovira i Virgili have developed CoCoGraph, an AI tool capable of generating millions of novel ...