A web application for use by experimental chemists created by us. Uploading a file calculated with commercially available software, and the electronic state can be analyzed. We are working on creating ...

Catalysts play an indispensable role in modern manufacturing. More than 80% of all manufactured products, from pharmaceuticals to plastics, rely on catalytic processes at some stage of production.

Researchers have used machine learning to create a model that simulates reactive processes in organic materials and conditions. Researchers from Carnegie Mellon University and Los Alamos National ...

The world is awash with news about artificial intelligence tools, including those intended to help chemists. But are the tools useful, a threat, or even worth the attention? It’s hard to know, ...

A new review highlights how machine learning is transforming the way scientists detect and measure organic pollutants in the ...

Chemists have developed an autonomous chemical synthesis robot with an integrated AI-driven machine learning unit. Dubbed 'RoboChem', the benchtop device can outperform a human chemist in terms of ...

Drug development is often a long and tedious process; sometimes, taking over a decade and billions of dollars before a treatment reaches patients. In fact, over 90 per cent of drug trials fail in the ...