AI Learns to Predict Outcomes of Complex Chemical Reactions

September 4, 2019

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An AI system capable of predicting the outcomes of chemical reactions has been developed. A feat that could improve current drug recovery processes. The researchers at the University of Cambridge have created an algorithm that can predict the outcomes of complex chemical reactions with over 90 percent accuracy. Using the algorithm, scientists can conveniently make target compounds, leading to a potential breakthrough in drug discovery. Chemists have always had a problem combining simple building blocks into complicated organic molecules. That’s because these building blocks often react in unexpected ways. By handling chemical reaction prediction as a machine translation problem, the model was able to produce more accurate results. Think of the reacting molecules as a language, and the product as another language. In this case, the model uses patterns in the texts to learn how to translate between the two languages.

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ChemRADE is a web-based application that will help companies to manage all important aspects related to the registration and risk assessment of hazardous substances in the workplace environment. ChemRADE facilitates management operations and experts with major aspects to meet legal obligations in relation to the European REACH regulations and the Dutch Working Conditions Act.

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