GOLM METABOLOME DATABASE
functional group prediction of compounds by means of GC-EI-MS spectra using microsoft analysis service decision trees
All currently available trained decision trees and sub-structure predictions provided by the GMD interface. Table describes the functional group, optional use of an RI system, record date of the trained decision tree, number of MSTs with proportion of MSTs linked to metabolites with the functional group present for each tree. Average and standard deviation of the 50-fold CV error, namely the ratio false over correctly sorted MSTs in the trained DT, are listed. The table can be sorted by activating the appropriated column header. The full list of decision trees is available through the paging function (left bottom).
