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This module is a quick and sensitive tool for indicating possibilities of first-pass metabolism. It flags compounds from an SDFile that have a high probability of being eliminated from the body in a first pass through the liver and kidney.
MexAlert was developed to be an ideal assistant for high-throughput screening. It is advantageous to consider metabolism still before synthesis of the compounds, in order to exclude unwanted metabolic pathways, leading, for example, to first pass effect or to formation of toxic intermediates. MexAlert predicts first pass metabolic pathways by quickly identifying sites on the molecule where Phase II metabolic transformations (in other words, conjugation) may occur. It is a rule based system; the rules are selected from among the Phase II transformations in the animal knowledge base, and modified according to in vivo experimental examples of first-pass effect pathways. Results are presented in tabular format, prepared to be ready to export to any spreadsheet editor.
Features at a Glance
MEXAlert is operating under Windows computing platform.
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