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Direct deduction of chemical class from NMR spectra
Stefan Kuhn
, Carlos Cobas
, Agustin Barba
,
Simon Colreavy-Donnelly
, Fabio Caraffini
, Ricardo Moreira Borges
Department of Computer Science & Information Systems
Interaction Design Centre
University of Tartu
De Montfort University
Mestrelab Research S.L.
Swansea University
Universidade Federal do Rio de Janeiro
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Engineering
Chemical Class
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Comparative Analysis
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Convolutional Neural Network
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Deep Learning Method
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Proof-of-Concept
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Computer Science
Comparative Analysis
100%
Convolutional Neural Network
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Deep Learning Method
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Chemical Engineering
Deep Learning Method
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Neural Network
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Material Science
Nuclear Magnetic Resonance
100%
Biochemistry, Genetics and Molecular Biology
Solution and Solubility
100%