1. A Data Deposition Platform for Sharing Nuclear Magnetic Resonance Data.
- Author
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Pin M, Poynton EF, Jordan T, Kim J, Ledingham B, van Santen JA, Yang V, Maras A, Tavangar P, Gautam V, Peters H, Sajed T, Lee BL, Shreffler HA, Koller JT, Tretter ZM, Cort JR, Sumner LW, Wishart DS, and Linington RG
- Subjects
- Databases, Factual, Magnetic Resonance Spectroscopy, Biological Products
- Abstract
Nuclear magnetic resonance (NMR) data are rarely deposited in open databases, leading to loss of critical scientific knowledge. Existing data reporting methods (images, tables, lists of values) contain less information than raw data and are poorly standardized. Together, these issues limit FAIR (findable, accessible, interoperable, reusable) access to these data, which in turn creates barriers for compound dereplication and the development of new data-driven discovery tools. Existing NMR databases either are not designed for natural products data or employ complex deposition interfaces that disincentivize deposition. Journals, including the Journal of Natural Products (JNP), are now requiring data submission as part of the publication process, creating the need for a streamlined, user-friendly mechanism to deposit and distribute NMR data.
- Published
- 2023
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