A team led by Prof Frank Glorius from the Institute of Organic Chemistry at the University of Münster has developed an evolutionary algorithm that identifies the structures in a molecule that are particularly relevant for a respective question and uses them to encode the properties of the molecules for various machine-learning models.
Evolutionary algorithm generates tailored 'molecular fingerprints' retrieved 10 May 2024 from https://phys.org/news/2024-05-evolutionary-algorithm-generates-tailored-molecular.html
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