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AI could revolutionise pharma compound synthesis

January 16, 2024


Their novel approach to high-throughput experimentation (HTE) could do away with the current need to run trial-and-error experiments to see how chemicals used to make medicines react with one another, predicting their behaviour virtually, and has been described in a Nature Chemistry paper.

At the moment, computer simulations are used to try to predict reactions using simple electron and atom modelling, but these approaches tend to require a lot of computing power and are often inaccurate, according to the scientists, led by Dr Alpha Lee of Cambridge’s physics department.

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