Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
The metabolite identification framework through MKL. First, we construct the fragmentation tree from the MS/MS spectrum. Second, we compute kernels for both MS/MS data and fragmentation trees. Third, MKL is used to combine kernels and predict molecular fingerprints. Finally, fingerprints are used for molecular structure database retrieval
