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RTExtract: Time-series NMR spectra quantification based on 3D surface ridge tracking.
Bioinformatics ( IF 5.8 ) Pub Date : 2020-07-12 , DOI: 10.1093/bioinformatics/btaa631
Yue Wu 1 , Michael T Judge 2 , Jonathan Arnold 1, 2 , Suchendra M Bhandarkar 3 , Arthur S Edison 1, 2, 4, 5
Affiliation  

Time-series NMR has advanced our knowledge about metabolic dynamics. Before analyzing compounds through modeling or statistical methods, chemical features need to be tracked and quantified. However, because of peak overlap and peak shifting, the available protocols are time consuming at best or even impossible for some regions in NMR spectra.

中文翻译:

RTExtract:基于 3D 表面脊跟踪的时间序列 NMR 谱量化。

时间序列核磁共振增进了我们对代谢动力学的了解。在通过建模或统计方法分析化合物之前,需要跟踪和量化化学特征。然而,由于峰重叠和峰位移,可用的协议对于 NMR 谱中的某些区域来说充其量是耗时的,甚至是不可能的。
更新日期:2020-07-13
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