Jul 3, 2023

A user-friendly platform for virtual exploration of chemical reactions

Posted by in categories: chemistry, computing

A new online platform to explore computationally calculated chemical reaction pathways has been released, allowing for in-depth understanding and design of chemical reactions.

Advances in have lead to the discovery of new reaction pathways for the synthesis of high-value compounds. Computational chemistry generates much data, and the process of organizing and visualizing this data is vital to be able to utilize it for future research.

A team of researchers from Hokkaido University, led by Professor Keisuke Takahashi at the Faculty of Chemistry and Professor Satoshi Maeda at the Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), have developed a centralized, interactive, and user-friendly platform, Searching Chemical Action and Network (SCAN), to explore reaction pathways generated by computational chemistry. Their research was published in the journal Digital Discovery.

Leave a reply