A Data Deposition Platform for Sharing Nuclear Magnetic Resonance Data

IF 3.3 2区生物学 Q2 CHEMISTRY, MEDICINAL Journal of Natural Products Pub Date : 2023-11-07 DOI:10.1021/acs.jnatprod.3c00795

Matthew Pin, Ella F. Poynton, Tamara Jordan, Jonghyeok Kim, Benjamin Ledingham, Jeffrey A. van Santen, Vera Yang, Andrew Maras, Pegah Tavangar, Vasuk Gautam, Harrison Peters, Tanvir Sajed, Brian L. Lee, Hailey A. Shreffler, James T. Koller, Zachary M. Tretter, John R. Cort, Lloyd W. Sumner, David S. Wishart and Roger G. Linington*,

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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.

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用于共享核磁共振数据的数据存储平台。

核磁共振（NMR）数据很少存储在开放的数据库中，导致关键科学知识的损失。现有的数据报告方法（图像、表格、值列表）包含的信息比原始数据少，而且标准化程度很差。总之，这些问题限制了对这些数据的FAIR（可查找、可访问、可互操作、可重复使用）访问，这反过来又为复合去复制和新的数据驱动发现工具的开发制造了障碍。现有的NMR数据库要么不是为天然产物数据设计的，要么采用了抑制沉积的复杂沉积界面。包括《天然产物杂志》（JNP）在内的期刊现在要求将数据提交作为出版过程的一部分，这就需要一个精简、用户友好的机制来存放和分发NMR数据。

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来源期刊

Journal of Natural Products 生物-药学

CiteScore

9.10

自引率

5.90%

发文量

294

审稿时长

2.3 months

期刊介绍： The Journal of Natural Products invites and publishes papers that make substantial and scholarly contributions to the area of natural products research. Contributions may relate to the chemistry and/or biochemistry of naturally occurring compounds or the biology of living systems from which they are obtained. Specifically, there may be articles that describe secondary metabolites of microorganisms, including antibiotics and mycotoxins; physiologically active compounds from terrestrial and marine plants and animals; biochemical studies, including biosynthesis and microbiological transformations; fermentation and plant tissue culture; the isolation, structure elucidation, and chemical synthesis of novel compounds from nature; and the pharmacology of compounds of natural origin. When new compounds are reported, manuscripts describing their biological activity are much preferred. Specifically, there may be articles that describe secondary metabolites of microorganisms, including antibiotics and mycotoxins; physiologically active compounds from terrestrial and marine plants and animals; biochemical studies, including biosynthesis and microbiological transformations; fermentation and plant tissue culture; the isolation, structure elucidation, and chemical synthesis of novel compounds from nature; and the pharmacology of compounds of natural origin.