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An application of neural networks in chemistry. Prediction of13C NMR chemical shifts

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Parallel Distributed Processing

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Utilisation de la méthode d'autocorrélation modifiée pour étudier des relations structure–déplacement chimique 13C pour des alcanes
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Autocorrelation Method Adapted To Generate New Atomic Environments: Application for the Prediction of 13-C Chemical Shifts of Alkanes
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13C NMR Chemical Shift Prediction of sp2 Carbon Atoms in Acyclic Alkenes Using Neural Networks
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13C NMR Chemical Shift Prediction of the sp3 Carbon Atoms in the α Position Relative to the Double Bond in Acyclic Alkenes
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Use of13C NMR Chemical Shift as QSAR/QSPR Descriptor
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Prediction of Ethene + Oct-1-ene Copolymerization Ideal Conditions Using Artificial Neuron Networks
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Developing 13C NMR quantitative spectrometric data-activity relationship (QSDAR) models of steroid binding to the corticosteroid binding globulin
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Data-driven approach for the prediction and interpretation of core-electron loss spectroscopy
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Machine Learning for Core-loss Spectrum
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