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Artificial intelligence for obtaining chemical fingerprints |
September 27, 2017
Researchers have succeeded in developing a method for predicting molecular infrared spectra based on artificial intelligence. These chemical 'fingerprints' could only be simulated by common prediction techniques for small molecules in high quality. The team was able to carry out simulations that were previously not possible.
Link: https://www.sciencedaily.com/releases/2017/09/170926105459.htm
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