Input File:

Note: Only accept .txt or .csv file. Due to the limit of computational resource, the maximum number of metabolites is 10 for one prediction.

Download Example for Input File

Or enter a list of molecular descriptors:

#---Example--- #---One descriptor each line--- Name: NAD Exact_Mass: 664.1169 Formal_Charge: 1 Physiological_Charge: -1 logP_ALOGPS: -1.18 logP_ChemAxon: -10 logS: -2.59 pKa_Strongest_Acidic: 1.86 pKa_Strongest_Basic: 5 Hydrogen_Acceptor_Count: 15 Hydrogen_Donor_Count: 8 Polar_Surface_Area: 318.26 Rotatable_Bond_Count: 11 Refractivity: 142 Polarizability: 55.86