Drug discovery is like molecular Tetris. Chemists snap atoms together, adjusting the pieces until everything fits and suddenly, a molecule makes a promising new medicine. Normally, creating better ...

Peer-reviewed research finds the company’s novel technology enables faster dataset construction, further shortening Avicenna’s timelines to develop life-saving medicines. “We’re accustomed to hearing ...

Add Yahoo as a preferred source to see more of our stories on Google. Although the Nobel Prizes in physics and chemistry are awarded separately, there is a fascinating connection between the winning ...

Within the STRUCTURES Cluster of Excellence, two research teams at the Interdisciplinary Center for Scientific Computing (IWR) have refined a computing process, long held to be unreliable, such that ...

Explore the capabilities of a new AI tool that revolutionizes drug discovery by speeding up molecule formation and reducing costs.

A new trick for modeling molecules with quantum accuracy takes a step toward revealing the equation at the center of a popular simulation approach, which is used in fundamental chemistry and materials ...

Flow chemistry engineering specialists Vapourtec is working with Accelerated Materials to develop the scope and potential of machine learning (ML) in flow chemistry. Machine learning delivers a number ...

Making high-performance proteins for medicines or consumer products can take trial after trial of tweaks, experiments and fine-tuning. A new machine learning framework squeezes all that into a single ...

Aluminum oxide or alumina is the fruit fly of materials science: thoroughly researched and well-understood. This compound, with the simple chemical formula Al 2 O 3, occurs frequently in Earth's crust ...

Orbital-free approach enables precise, stable, and physically meaningful calculation of molecular energies and electron densities By applying new methods of machine learning in quantum chemistry ...