MetFrag relaunched: incorporating strategies beyond in silico fragmentation.
Ruttkies C, Schymanski EL, Wolf S, Hollender J, Neumann S.
Ruttkies C, et al.
J Cheminform. 2016 Jan 29;8:3. doi: 10.1186/s13321-016-0115-9. eCollection 2016.
J Cheminform. 2016.
PMID: 26834843
Free PMC article.
Feedback on the command line version of MetFrag2.2 available at http://c-ruttkies.github.io/MetFrag/ is welcome....
Feedback on the command line version of MetFrag2.2 available at http://c-ruttkies.github.io/MetFrag/ is welcome....