NMF-Based Spectral Deconvolution with a Web Platform GC Mixture Touch.

ABSTRACT: Complete separation of chemicals in a complex mixture is far from being achieved even with the current high-performance separation technology, such as gas chromatography-mass spectrometry (GC-MS). Several deconvolution techniques based on multivariate curve resolution (MCR), or model peak methods, which are represented by AMDIS, have been developed to address the above-mentioned issue. The model peak methods have been developed to provide easy-to-use tools, including AMDIS, but are limited for MCR with approximation methods. The objective of this study was to provide an easy-to-use deconvolution tool based on the MCR approach for GC-MS data. The spectral deconvolution tool based on non-negative matrix factorization (NMF), which calculates outputs using an approximation method, was implemen

SUBMITTER: Zushi Y 

PROVIDER: S-EPMC7860082 | biostudies-literature | 2021 Feb

REPOSITORIES: biostudies-literature