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

James B McAlpine Shao-Nong Chen Andrei G Kutateladze John B MacMillan Giovanni Appendino Andersson Barison Mehdi A Beniddir Maique Weber Biavatti Stefan Bluml Asmaa Boufridi Mark S Butler Robert J Capon Young Hae ChoiDavid CoppagePhillip Crews Michael T Crimmins Marie Csete Pradeep Dewapriya Joseph M Egan Mary J Garson Grégory Genta-Jouve William H Gerwick Harald GrossMary Kay HarperPrecilia HermantoJames M Hook Luke Hunter Damien Jeannerat Nai-Yun JiTyler A JohnsonDavid G I Kingston Hiroyuki KoshinoHsiau-Wei LeeGuy LewinJie Li Roger G LiningtonMiaomiao LiuKerry L McPhail Tadeusz F Molinski Bradley S Moore Joo-Won NamRam P NeupaneMatthias Niemitz Jean-Marc Nuzillard Nicholas H Oberliels Fernanda Maria Marins Ocampos Guohui Pan Ronald J QuinnD Sai ReddyJean-Hugues RenaultJosé Rivera-ChávezWolfgang Robien Carla M Saunders Thomas Jürgen Schmidt Christoph Seger Ben Shen Christoph Steinbeck Hermann StuppnerSonja SturmTaglialatela-Scafati Orazio Dean Joseph Tantillo Robert Verporte Bin-Gui Wang Craig M Williams Philip G Williams Julien Wist Jian-Min YueChen ZhangZhengren Xu Charlotte Simmler David C Lankin Jonathan Bisson Guido F Pauli

Published in: Natural product reports (2018)

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.

Keyphrases