Calculating the "fingerprints" of molecules with artificial

With conventional methods, it is extremely time-consuming to calculate the spectral fingerprint of larger molecules. But this is a prerequisite for correctly interpreting experimentally obtained d ...

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Berlin , Germany , Ulf Leser , Kanishka Singh , Annika Bande , Humboldt University Berlin , Explainable Artificial Intelligence , X Ray Absorption , Macromolecules , Quantum Dots , Artificial Intelligence , Neural Networks , Absorption Spectroscopy , X Ray Absorption Spectroscopy ,