Metabolizer enumerates the metabolites of a given substrate with the reactions of the given biotransformation library and calculates their estimated probabilities of formation and accumulation. Metabolite prediction provides ideas about the metabolic fate of molecules. Biodegradation deactivates drugs, activates pro-drugs and metabolites can have biological effects which may mean risk for living organs. Knowing metabolic fate early can help drug designers to improve the metabolic stability of compounds or to avoid toxicity risks. Metabolizer's knowedge base is stored in biotransformation libraries. A library contains a set of generic reactions, rules to make transformations selective, examples, literature references ranking and some other data. Biotransformation libraries can be "plugged in" easily, and you can even create and use your own ones. A human xenobiotic phase I biotransformation library is built-in the application, however, for immediate use.
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