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 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*, 
{"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。

摘要图片

查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
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.
期刊最新文献
Discovery of Sporachelins by Genome Mining of a Micromonospora Strain. In Vitro Biological Target Screening and Colloidal Aggregation of Minor Cannabinoids. Tyrosinase Inhibitory Properties of Compounds Isolated from Artocarpus integer Roots. Discovery, Biosynthesis, Total Synthesis, and Biological Activities of Solanapyrones: [4 + 2] Cycloaddition-Derived Polyketides of Fungal Origin. Discovery of Chalcone Derivatives as Bifunctional Molecules with Anti-SARS-CoV-2 and Anti-inflammatory Activities.
×
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
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 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 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1