NP-MRD: the Natural Products Magnetic Resonance Database.
NP-MRD: the Natural Products Magnetic Resonance Database.
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NP-MRD：天然产物磁共振数据库。
DOI：
10.1093/nar/gkab1052
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发表时间：
2022-01-07
影响因子：
14.9
通讯作者：
Cort JR
中科院分区：
文献类型：
--
作者：
Wishart DS;Sayeeda Z;Budinski Z;Guo A;Lee BL;Berjanskii M;Rout M;Peters H;Dizon R;Mah R;Torres-Calzada C;Hiebert-Giesbrecht M;Varshavi D;Varshavi D;Oler E;Allen D;Cao X;Gautam V;Maras A;Poynton EF;Tavangar P;Yang V;van Santen JA;Ghosh R;Sarma S;Knutson E;Sullivan V;Jystad AM;Renslow R;Sumner LW;Linington RG;Cort JR
天然产物核磁共振数据库(NP-MRD)是一个全面、免费的电子资源，用于储存、分发、搜索和检索关于天然产物、代谢物和其他生物衍生化学品的核磁共振数据。长期以来，核磁共振波谱一直被视为确定新的天然产物和新的代谢物结构的‘金标准’。核磁共振还广泛应用于天然产物的去还原和生物流体混合物的表征(代谢组学)。所有这些核磁共振应用都需要大量高质量、注释良好的纯化合物参考核磁共振谱集合。不幸的是，天然产物的参考核磁共振波谱集合相当有限。正是由于对专门的、开放获取的天然产物核磁共振资源的迫切需求，NP-MRD由国家卫生研究所(NIH)提供资金。自2020年推出以来，NP-MRD迅速发展成为世界上最大的天然产品和其他生物物质的核磁共振数据存储库。它目前包含来自7400个不同物种的近41,000种天然产物化合物的结构和核磁共振数据。NP-MRD中的所有结构、光谱和描述性数据都是可交互查看、可搜索和以多种格式完全下载的。还提供了指向其他相关数据库的大量超链接。NP-MRD还支持天然产物和相关元数据的核磁共振指配和核磁共振谱(一维和二维)的社区存储。该沉积系统执行广泛的数据浓缩、自动数据格式转换和光谱/赋值评估。还提供了这些数据库功能的详细信息、它们是如何实施的以及未来升级的计划。NP-MRD可在https://np-mrd.org.上获得
The Natural Products Magnetic Resonance Database (NP-MRD) is a comprehensive, freely available electronic resource for the deposition, distribution, searching and retrieval of nuclear magnetic resonance (NMR) data on natural products, metabolites and other biologically derived chemicals. NMR spectroscopy has long been viewed as the ‘gold standard’ for the structure determination of novel natural products and novel metabolites. NMR is also widely used in natural product dereplication and the characterization of biofluid mixtures (metabolomics). All of these NMR applications require large collections of high quality, well-annotated, referential NMR spectra of pure compounds. Unfortunately, referential NMR spectral collections for natural products are quite limited. It is because of the critical need for dedicated, open access natural product NMR resources that the NP-MRD was funded by the National Institute of Health (NIH). Since its launch in 2020, the NP-MRD has grown quickly to become the world's largest repository for NMR data on natural products and other biological substances. It currently contains both structural and NMR data for nearly 41,000 natural product compounds from >7400 different living species. All structural, spectroscopic and descriptive data in the NP-MRD is interactively viewable, searchable and fully downloadable in multiple formats. Extensive hyperlinks to other databases of relevance are also provided. The NP-MRD also supports community deposition of NMR assignments and NMR spectra (1D and 2D) of natural products and related meta-data. The deposition system performs extensive data enrichment, automated data format conversion and spectral/assignment evaluation. Details of these database features, how they are implemented and plans for future upgrades are also provided. The NP-MRD is available at https://np-mrd.org.
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影响因子：
8.6
作者：
Djoumbou Feunang Y;Eisner R;Knox C;Chepelev L;Hastings J;Owen G;Fahy E;Steinbeck C;Subramanian S;Bolton E;Greiner R;Wishart DS
通讯作者：
Wishart DS
影响因子：
14.9
作者：
Federhen S
通讯作者：
Federhen S
影响因子：
8.6
作者：
Yesiltepe Y;Nuñez JR;Colby SM;Thomas DG;Borkum MI;Reardon PN;Washton NM;Metz TO;Teeguarden JG;Govind N;Renslow RS
通讯作者：
Renslow RS
影响因子：
14.9
作者：
Ulrich EL;Akutsu H;Doreleijers JF;Harano Y;Ioannidis YE;Lin J;Livny M;Mading S;Maziuk D;Miller Z;Nakatani E;Schulte CF;Tolmie DE;Kent Wenger R;Yao H;Markley JL
通讯作者：
Markley JL
影响因子：
3.5
作者：
DAVIES, AN;LAMPEN, P
通讯作者：
LAMPEN, P