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The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research

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Abstract

Covering: up to 2018

With contributions from the global natural product (NP) research community, and continuing the Raw Data Initiative, this review collects a comprehensive demonstration of the immense scientific value of disseminating raw nuclear magnetic resonance (NMR) data, independently of, and in parallel with, classical publishing outlets. A comprehensive compilation of historic to present-day cases as well as contemporary and future applications show that addressing the urgent need for a repository of publicly accessible raw NMR data has the potential to transform natural products (NPs) and associated fields of chemical and biomedical research. The call for advancing open sharing mechanisms for raw data is intended to enhance the transparency of experimental protocols, augment the reproducibility of reported outcomes, including biological studies, become a regular component of responsible research, and thereby enrich the integrity of NP research and related fields.

Graphical abstract: The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research

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Publication details

The article was received on 18 Dec 2017 and first published on 13 Jul 2018


Article type: Review Article
DOI: 10.1039/C7NP00064B
Citation: Nat. Prod. Rep., 2018, Advance Article
  • Open access: Creative Commons BY license
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    The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research

    J. B. McAlpine, S. Chen, A. Kutateladze, J. B. MacMillan, G. Appendino, A. Barison, M. A. Beniddir, M. W. Biavatti, S. Bluml, A. Boufridi, M. S. Butler, R. J. Capon, Y. H. Choi, D. Coppage, P. Crews, M. T. Crimmins, M. Csete, P. Dewapriya, J. M. Egan, M. J. Garson, G. Genta-Jouve, W. H. Gerwick, H. Gross, M. K. Harper, P. Hermanto, J. M. Hook, L. Hunter, D. Jeannerat, N. Ji, T. A. Johnson, D. G. I. Kingston, H. Koshino, H. Lee, G. Lewin, J. Li, R. G. Linington, M. Liu, K. L. McPhail, T. F. Molinski, B. S. Moore, J. Nam, R. P. Neupane, M. Niemitz, J. Nuzillard, N. H. Oberlies, F. M. M. Ocampos, G. Pan, R. J. Quinn, D. S. Reddy, J. Renault, J. Rivera-Chávez, W. Robien, C. M. Saunders, T. J. Schmidt, C. Seger, B. Shen, C. Steinbeck, H. Stuppner, S. Sturm, O. Taglialatela-Scafati, D. J. Tantillo, R. Verpoorte, B. Wang, C. M. Williams, P. G. Williams, J. Wist, J. Yue, C. Zhang, Z. Xu, C. Simmler, D. C. Lankin, J. Bisson and G. F. Pauli, Nat. Prod. Rep., 2018, Advance Article , DOI: 10.1039/C7NP00064B

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