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AI-based method predicts small molecule substrates of enzymes

AI predicts the function of enzymes

Enzymes are the molecule factories in biological cells. However, which basic molecular building blocks they use to assemble target molecules is often unknown and difficult to measure. An international team including bioinformaticians from Heinrich Heine University Düsseldorf (HHU) has now taken an important step forward in this regard: Their AI method predicts with a high degree of accuracy whether an enzyme can work with a specific substrate. They now present their results in the scientific journal Nature Communications.

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