用于共享核磁共振数据的数据存储平台。

IF 3.3 2区 生物学 Q2 CHEMISTRY, MEDICINAL
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*, 
{"title":"用于共享核磁共振数据的数据存储平台。","authors":"Matthew Pin,&nbsp;Ella F. Poynton,&nbsp;Tamara Jordan,&nbsp;Jonghyeok Kim,&nbsp;Benjamin Ledingham,&nbsp;Jeffrey A. van Santen,&nbsp;Vera Yang,&nbsp;Andrew Maras,&nbsp;Pegah Tavangar,&nbsp;Vasuk Gautam,&nbsp;Harrison Peters,&nbsp;Tanvir Sajed,&nbsp;Brian L. Lee,&nbsp;Hailey A. Shreffler,&nbsp;James T. Koller,&nbsp;Zachary M. Tretter,&nbsp;John R. Cort,&nbsp;Lloyd W. Sumner,&nbsp;David S. Wishart and Roger G. Linington*,&nbsp;","doi":"10.1021/acs.jnatprod.3c00795","DOIUrl":null,"url":null,"abstract":"<p >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 <i>Journal of Natural Products</i> (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.</p>","PeriodicalId":47,"journal":{"name":"Journal of Natural Products ","volume":"86 11","pages":"2554–2561"},"PeriodicalIF":3.3000,"publicationDate":"2023-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"A Data Deposition Platform for Sharing Nuclear Magnetic Resonance Data\",\"authors\":\"Matthew Pin,&nbsp;Ella F. Poynton,&nbsp;Tamara Jordan,&nbsp;Jonghyeok Kim,&nbsp;Benjamin Ledingham,&nbsp;Jeffrey A. van Santen,&nbsp;Vera Yang,&nbsp;Andrew Maras,&nbsp;Pegah Tavangar,&nbsp;Vasuk Gautam,&nbsp;Harrison Peters,&nbsp;Tanvir Sajed,&nbsp;Brian L. Lee,&nbsp;Hailey A. Shreffler,&nbsp;James T. Koller,&nbsp;Zachary M. Tretter,&nbsp;John R. Cort,&nbsp;Lloyd W. Sumner,&nbsp;David S. Wishart and Roger G. Linington*,&nbsp;\",\"doi\":\"10.1021/acs.jnatprod.3c00795\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >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 <i>Journal of Natural Products</i> (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.</p>\",\"PeriodicalId\":47,\"journal\":{\"name\":\"Journal of Natural Products \",\"volume\":\"86 11\",\"pages\":\"2554–2561\"},\"PeriodicalIF\":3.3000,\"publicationDate\":\"2023-11-07\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Natural Products \",\"FirstCategoryId\":\"99\",\"ListUrlMain\":\"https://pubs.acs.org/doi/10.1021/acs.jnatprod.3c00795\",\"RegionNum\":2,\"RegionCategory\":\"生物学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, MEDICINAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Natural Products ","FirstCategoryId":"99","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acs.jnatprod.3c00795","RegionNum":2,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MEDICINAL","Score":null,"Total":0}
引用次数: 0

摘要

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。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

A Data Deposition Platform for Sharing Nuclear Magnetic Resonance Data

A Data Deposition Platform for Sharing Nuclear Magnetic Resonance Data

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.

求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
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.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信