This is the Linux app named SGMNS whose latest release can be downloaded as SGMNS.part5.rar. It can be run online in the free hosting provider OnWorks for workstations.
Download and run online this app named SGMNS with OnWorks for free.
Follow these instructions in order to run this app:
- 1. Downloaded this application in your PC.
- 2. Enter in our file manager https://www.onworks.net/myfiles.php?username=XXXXX with the username that you want.
- 3. Upload this application in such filemanager.
- 4. Start the OnWorks Linux online or Windows online emulator or MACOS online emulator from this website.
- 5. From the OnWorks Linux OS you have just started, goto our file manager https://www.onworks.net/myfiles.php?username=XXXXX with the username that you want.
- 6. Download the application, install it and run it.
SGMNS
DESCRIPTION:
Large-scale metabolite annotation is a bottleneck in untargeted metabolomics. Here, we present a structure-guided molecular network strategy (SGMNS) for deep annotation of untargeted ultra-performance liquid chromatography-high resolution mass spectrometry-based metabolomics data. SGMNS used a global connectivity molecular network (GCMN), which was constructed by the structural similarity of metabolites. When the annotation was performed, experimental MS/MS spectra of known metabolites as seeds were assigned to corresponding neighbor metabolites in GCMN as their “pseudo” spectra, and the propagation was performed by searching predicted retention times, MS1 and “pseudo” spectra against metabolite features. Then, the annotated metabolite features were used as new seeds for annotation propagation again. A total of 2,041 metabolites were annotated from a pooled biological sample, and the annotation accuracy was > 83% with RSD < 2%.
Features
- All five RAR files need to be downloaded.
This is an application that can also be fetched from https://sourceforge.net/projects/sgmns/. It has been hosted in OnWorks in order to be run online in an easiest way from one of our free Operative Systems.