Bringing Machine learning and chemistry knowledge together

What is it about?

Machine Learning is a useful tool for chemical reaction optimization and catalyst discovery, however, its prediction can be misleading. In this work, the authors showed how machine learning can be guided by theoretical knowledge so that machine learning prediction strictly follows chemical principles.

Featured Image

Photo by Appolinary Kalashnikova on Unsplash

Photo by Appolinary Kalashnikova on Unsplash

Why is it important?

The authors developed a method to integrate theoretical knowledge into a machine learning model for predicting the performance of catalysts in a chemical reaction.

Perspectives

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Hope this article gives the readers joy while reading about machine learning, water-gas shift reaction, and the current bottleneck in green hydrogen research.

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