Chemistry Cheminformatics

What if some of the most important scientific discoveries are already hidden in data collected years ago? Researchers at Tohoku University are exploring how AI and data-driven science can reveal new insights from past experiments and scientific literature. Their review highlights how old data could help accelerate discoveries in chemistry and materials science.

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

Researchers used a chemical synthesis robot and computationally cost effective A.I. model to successfully predict and validate highly selective catalysts.

Reaction design framework proposed by computations leads to the discovery of a wealth of reactions, opening new paths for drug development.

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