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MetabolExpert is an ideal program for a quick prediction of the metabolic fate of a compound in the drug discovery process or during the dispositional research phase. It also helps the analysis of metabolic experiments.
CompuDrug's MetabolExpert is a unique tool for initial estimation of the structural formula of metabolites, which might be formed by a substance in humans, animals or in plants. MetabolExpert is a rule-based system with open architecture, in other words, the chemists, metabolism researchers, drug disposition experts and environmental managers can understand, expand, modify or optimize the data on which the metabolic structural estimation relies. The input of the structural transformation is facilitated by an easy-to-use graphical interface, and the metabolic tree graph is displayed in a way that is especially suitable for reporting.
Features at a Glance
The knowledge base of the MetabolExpert module of Pallas has been extended with new metabolic reactions. The extension includes a set of special metabolic reactions collected from the scientific literature focusing on the metabolisms of toxic and drug-like organic compounds. Thanks to the inserted reactions, the new version of MetabolExpert will manage a series of special metabolisms, including ring opening and closing reactions.
MetabolExpert is operating under Windows/Linux computing platforms.
If you need more information about our product, please e-mail CompuDrug International at firstname.lastname@example.org