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07/2018 ASP 2018
04/2018 ICSB 2018
07/2017 ASP

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


Tags: raw data raw data initiative NMR
McAlpine, James B. and Chen, Shao-Nong and Kutateladze, Andrei and MacMillan, John B. and Appendino, Giovanni and Barison, Andersson and Beniddir, Mehdi A. and Biavatti, Maique W. and Bluml, Stefan and Boufridi, Asmaa and Butler, Mark S. and Capon, Robert J. and Choi, Young H. and Coppage, David and Crews, Phillip and Crimmins, Michael T. and Csete, Marie and Dewapriya, Pradeep and Egan, Joseph M. and Garson, Mary J. and Genta-Jouve, Grégory and Gerwick, William H. and Gross, Harald and Harper, Mary Kay and Hermanto, Precilia and Hook, James M. and Hunter, Luke and Jeannerat, Damien and Ji, Nai-Yun and Johnson, Tyler A. and Kingston, David G. I. and Koshino, Hiroyuki and Lee, Hsiau-Wei and Lewin, Guy and Li, Jie and Linington, Roger G. and Liu, Miaomiao and McPhail, Kerry L. and Molinski, Tadeusz F. and Moore, Bradley S. and Nam, Joo-Won and Neupane, Ram P. and Niemitz, Matthias and Nuzillard, Jean-Marc and Oberlies, Nicholas H. and Ocampos, Fernanda M. M. and Pan, Guohui and Quinn, Ronald J. and Reddy, D. Sai and Renault, Jean-Hugues and Rivera-Chávez, José and Robien, Wolfgang and Saunders, Carla M. and Schmidt, Thomas J. and Seger, Christoph and Shen, Ben and Steinbeck, Christoph and Stuppner, Hermann and Sturm, Sonja and Taglialatela-Scafati, Orazio and Tantillo, Dean J. and Verpoorte, Robert and Wang, Bin-Gui and Williams, Craig M. and Williams, Philip G. and Wist, Julien and Yue, Jian-Min and Zhang, Chen and Xu, Zhengren and Simmler, Charlotte and Lankin, David C. and Bisson, Jonathan and Pauli, Guido F.
Natural Product Report ASAP, C7NP00064B (2018)
DOI:10.1039/C7NP00064B
PMC:true [OpenAccess]

Abstract

Covering: up to 2018With 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.