One of the shared, fundamental goals of most chemistry researchers is the need to predict a molecule's properties, such as its boiling or melting point. Once researchers can pinpoint that prediction, ...

Solvent effects influence all stages of the chemical processes, modulating the stability of intermediates and transition states, as well as altering reaction rates and product ratios. However, ...

Physics-informed machine learning bridges the gap between the high fidelity of mechanistic models and the adaptive insights of artificial intelligence. In chemical reaction network modeling, this ...

There are few problems now that AI and machine learning cannot help overcome. Researchers from the Yokohama National University are using this modern advantage to resolve what conventional methods ...

Chemists have created a machine learning tool that can identify the chemical composition of dried salt solutions from an image with 99% accuracy. By using robotics to prepare thousands of samples and ...

“Artificial Intelligence (AI) and Machine Learning (ML) are modernising the chemical industry through enhanced data-driven decision-making, process automation and intelligent optimization systems,” ...

Machine learning is a subfield of artificial intelligence, which explores how to computationally simulate (or surpass) humanlike intelligence. While some AI techniques (such as expert systems) use ...