Metabolism and Degradation Predictor

Meta-PC is a powerful discovery tool for predicting the metabolic and degradation products of chemical compounds. It performs an expert evaluation of the chemical structure of the query compound and does not need prior test data about the actual metabolism of the compound.

Overview

Meta-PC uses expert rules to predict metabolites

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.

Spontaneous transformations filter out unstable metabolites

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.

Choice of four dictionaries allows customization of Meta-PC

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.

Easy control over the depth of the metabolic tree

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.

Batch mode analysis

Meta-PC can perform metabolite prediction of hundreds of chemicals in batch mode.

Built-in toxicity risk assessment of metabolites

Meta-PC performs an expert evaluation of the chemical structure of the metabolites for the presence of known features with genotoxic or carcinogenic potential.