Twenty metabolites were extracted from the study of Zheng and colleagues. The metabolites related to FMC and their corresponding values are shown in Table . Twenty random metabolites were obtained from HMDB, using random-number generator without repetitions. The metabolites were marked "Selected" or "Random" and compiled in the dataset, which ran through PaDEL-Descriptor creating 1444 1D and 2D descriptors. The obtained dataset with attributes applied to the WEKA's InfoGainAttributeEval application, which reduced descriptor dimension to 31 most significant descriptors.