A Data Deposition Platform for Sharing Nuclear Magnetic Resonance Data.
A Data Deposition Platform for Sharing Nuclear Magnetic Resonance Data.
复制标题
共享核磁共振数据的数据沉积平台。
DOI：
10.1021/acs.jnatprod.3c00795
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发表时间：
2023
影响因子：
5.1
通讯作者：
Tret
中科院分区：
文献类型：
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作者：
Pin,Matthew;Poynton,EllaF;Jordan,Tamara;Kim,Jonghyeok;Ledingham,Benjamin;vanSanten,JeffreyA;Yang,Vera;Maras,Andrew;Tavangar,Pegah;Gautam,Vasuk;Peters,Harrison;Sajed,Tanvir;Lee,BrianL;Shreffler,HaileyA;Koller,JamesT;Tret
核磁共振（NMR）数据很少存放在开放的数据库中，导致关键科学知识的丢失。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、可重用）访问，这反过来又为复合去复制和开发新的数据驱动的发现工具制造了障碍。现有的核磁共振数据库要么不是为天然产物数据设计的，要么采用了复杂的沉积界面，不利于沉积。包括journal of Natural Products（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，这就需要一种简化的、用户友好的机制来存储和分发NMR数据。
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 theJournal 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.