Just like an astronomer investigates outer space, a chemist explores chemical space—a theoretical territory with all possible known (and unknown) chemical compounds. Researchers estimate chemical ...

Figure 1. LoRA-Chem: From Model Customization to Organic Chemistry Reaction Tasks. (a) Several machine learning algorithm paradigms applied to organic chemistry. (b) Inspired by AI-driven image style ...

Speeding up chemical reactions is key to improving industrial processes or mitigating unwanted or harmful waste. Realizing these improvements requires that chemists design around documented reaction ...

Controlling chemical reactions to generate new products is one of the biggest challenges in chemistry. Developments in this area impact industry, for example, by reducing the waste generated in the ...