Meta-PC uses a set of expert rules that are coded in dictionaries to determine the part of the chemical structure of a query compound to predict the metabolic products. Optimization algorithms were used to fine tune relative importance of the rules.
Meta-PC is equipped with a detailed knowledge of spontaneous reactions that encode spontaneous structural rearrangements and process unstable intermediates to give you the most stable metabolites and degradation products.
Meta-PC comes with four powerful dictionaries: Mammalian Metabolism, Aerobic Microbial Biodegradation, Anaerobic Microbial Biodegradation and Photo Degradation Dictionary. By selecting a particular dictionary you can change the capabilities of Meta-PC for a more targeted use.
The rules-based program is able to recognize and display the primary, secondary, tertiary, etc. potential metabolites of a parent compound, leading to a continuum of metabolites of more and more minor probability of occurrence at biologically relevant levels.
Meta-PC can perform metabolite prediction of hundreds of chemicals in batch mode.
Meta-PC performs an expert evaluation of the chemical structure of the metabolites for the presence of known features with genotoxic or carcinogenic potential.
