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    Lhasa Limited
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    May 2008
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    Poster
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In Silico Prediction of Reaction Intermediates.

pdf fileAli MA; Long A;

Meteor is a knowledge-based expert system designed to predict the metabolic fate of a query compound from its chemical structure. The system contains a biotransformation dictionary of metabolic reactions and a reasoning engine which discriminates between all possible outcomes and the most likely ones.  The reasoning engine is driven by a collection of rules which encapsulate human expert knowledge.  Both the biotransformation dictionary and the reasoning engine’s rule base are expanded and refined as new metabolic knowledge becomes available.  Recent advances in knowledge base development have focused on the inclusion of metabolic intermediates.  This allows the program to provide insights into the mechanistic pathways involved in the generation of end metabolites. 

Poster presented by Ash Ali at the 10th European ISSX Meeting, Vienna, Austria; May 2008

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