Datasets for "Accurate and efficient structure elucidation from routine one-dimensional NMR spectra using multitask machine learning"
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This upload contains the datasets used for the experiments in: Accurate and efficient structure elucidation from routine one-dimensional NMR spectra using multitask machine learning Frank Hu, Michael S. Chen, Grant M. Rotskoff, Matthew W. Kanan, and Thomas E. Markland https://arxiv.org/abs/2408.08284 For file descriptions and usage, please refer to the supplied README.md file.
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