Compound Identification
Determines the compounds that most closely match to a given spectra. The spectra for each candidate compound (in the provided list) are predicted using a pre-trained model and compared to the input spectra. The top candidates are ranked according to how closely they match and returned in a list.
If you wish to run multiple jobs, search more candidates/larger candidate molecules, or customize the computation parameters, you can freely download the source code here: http://sourceforge.net/projects/cfm-id.