This is the Windows app named KHMN whose latest release can be downloaded as NEG_Leave_all_features_Align.xlsx. It can be run online in the free hosting provider OnWorks for workstations.
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KHMN
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DESCRIPTION
Features
- Here, we proposed a general method of a knowledge-based hybrid molecular network (KHMN) to screen and annotate specialized metabolites involved in important biological functions in complex plant extracts. Based on a similar structure with a similar function, KHMN was orientated by heterogeneous MS/MS spectra of the known functional metabolites as initial seeds to trigger molecular networks with untargeted metabolomics MS/MS spectra. Highly efficient capture of the molecular families of seed metabolites could be achieved. Then, structural knowledge (MS fragmentation patterns and biotransformation reactions) was derived from spectra of seed metabolites or metabolic pathways. Then it was integrated into the KHMN and contributed to the attributes of nodes and edges. The integration of captured structural knowledge into the network increased the efficiency and accuracy of annotation propagation and benefitted the annotation of new metabolites
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This is an application that can also be fetched from https://sourceforge.net/projects/khmn/. It has been hosted in OnWorks in order to be run online in an easiest way from one of our free Operative Systems.
