Spectral deep learning for prediction and prospective validation of functional groups
Keyword(s):
A new multi-label deep neural network architecture is used to combine Infrared and mass spectra, trained on single compounds to predict functional groups, and experimentally validated on complex mixtures.
Keyword(s):
Keyword(s):
2019 ◽
Vol 18
(11)
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pp. 2244-2248
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