The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research
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Author(s)
Chen, Shao-Nong
Kutateladze, Andrei
MacMillan, John B
Appendino, Giovanni
Barison, Andersson
Beniddir, Mehdi A
Biavatti, Maique W
Bluml, Stefan
Boufridi, Asmaa
Butler, Mark S
Capon, Robert J
Choi, Young H
Coppage, David
Crews, Phillip
Crimmins, Michael T
Csete, Marie
Dewapriya, Pradeep
Egan, Joseph M
Garson, Mary J
Genta-Jouve, Gregory
Gerwick, William H
Gross, Harald
Harper, Mary Kay
Hermanto, Precilia
Hook, James M
Hunter, Luke
Jeannerat, Damien
Ji, Nai-Yun
Johnson, Tyler A
Kingston, David GI
Koshino, Hiroyuki
Lee, Hsiau-Wei
Lewin, Guy
Li, Jie
Linington, Roger G
Liu, Miaomiao
McPhail, Kerry L
Molinski, Tadeusz F
Moore, Bradley S
Nam, Joo-Won
Neupane, Ram P
Niemitz, Matthias
Nuzillard, Jean-Marc
Oberlies, Nicholas H
Ocampos, Fernanda MM
Pan, Guohui
Quinn, Ronald J
Reddy, D Sai
Renault, Jean-Hugues
Rivera-Chavez, Jose
Robien, Wolfgang
Saunders, Carla M
Schmidt, Thomas J
Seger, Christoph
Shen, Ben
Steinbeck, Christoph
Stuppner, Hermann
Sturm, Sonja
Taglialatela-Scafati, Orazio
Tantillo, Dean J
Verpoorte, Robert
Wang, Bin-Gui
Williams, Craig M
Williams, Philip G
Wist, Julien
Yue, Jian-Min
Zhang, Chen
Xu, Zhengren
Simmler, Charlotte
Lankin, David C
Bisson, Jonathan
Pauli, Guido F
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Abstract
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.
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NATURAL PRODUCT REPORTS
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36
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1
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Chemical sciences
Biological sciences
Biomedical and clinical sciences
Medicinal and biomolecular chemistry
Traditional, complementary and integrative medicine